氯菌酸(115-28-6)質(zhì)譜(MS)
分子式:C9H4Cl6O4
分子量: 388.84
InChI:InChI=1S/C9H4Cl6O4/c10-3-4(11)8(13)2(6(18)19)1(5(16)17)7(3,12)9(8,14)15/h1-2H,(H,16,17)(H,18,19)
InChIKey: DJKGDNKYTKCJKD-UHFFFAOYSA-N
Smiles:C12(Cl)C(Cl)(Cl)C(Cl)(C(Cl)=C1Cl)C(C(O)=O)C2C(O)=O
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Mass
MS-NW-0341
chlorendic acid
C9H4Cl6O4 (Mass of molecular ion: 386)
Source Temperature: 170 °C
Sample Temperature: 170 °C
Direct, 75 eV
17.0 2.4
18.0 11.7
26.0 7.4
27.0 2.3
28.0 3.1
29.0 1.4
35.0 3.1
36.0 18.6
37.0 3.0
38.0 6.2
41.0 1.0
43.0 2.3
44.0 8.1
45.0 13.0
47.0 3.4
48.0 1.0
49.0 2.7
50.0 2.9
53.0 2.8
54.0 4.1
55.0 1.2
60.0 8.4
60.5 1.7
61.0 6.9
62.0 2.5
63.0 25.4
65.0 9.4
71.0 3.4
72.0 4.2
73.0 7.0
74.0 4.5
75.0 1.8
77.0 2.1
77.5 2.0
78.0 3.6
78.5 1.5
79.0 1.6
82.0 1.2
83.0 7.7
84.0 6.6
85.0 8.0
86.0 6.3
87.0 1.8
89.0 5.9
91.0 2.3
94.0 1.7
95.0 14.0
95.5 2.5
96.0 11.1
96.5 2.1
97.0 7.9
98.0 2.9
99.0 9.6
101.0 1.6
106.0 3.6
107.0 12.7
108.0 5.4
109.0 9.4
110.0 2.3
111.0 2.4
112.0 1.0
112.5 3.0
113.0 4.9
113.5 4.2
114.0 5.0
114.5 2.3
115.0 2.2
117.0 9.2
118.0 2.8
118.5 1.2
119.0 9.2
120.0 6.1
121.0 8.2
122.0 2.7
123.0 3.1
127.0 2.2
128.0 3.0
129.0 1.5
130.0 8.8
130.5 7.5
131.0 7.6
131.5 12.4
132.0 7.5
132.5 8.0
133.0 5.6
133.5 2.6
134.0 1.4
135.0 1.6
141.0 11.8
143.0 13.3
144.0 2.9
145.0 6.4
146.0 2.1
147.0 2.3
155.0 4.5
156.0 1.8
157.0 5.1
158.0 1.4
159.0 2.4
165.0 7.2
167.0 10.1
169.0 5.3
171.0 1.4
173.0 1.3
178.0 1.1
179.0 6.2
180.0 7.2
181.0 7.1
182.0 6.5
183.0 3.2
184.0 2.1
190.0 1.1
191.0 22.8
192.0 3.2
193.0 22.4
194.0 2.9
195.0 7.8
196.0 1.1
197.0 1.3
201.0 6.1
202.0 1.1
203.0 7.6
204.0 1.0
205.0 3.6
207.0 24.0
208.0 2.4
209.0 23.9
210.0 2.2
211.0 7.9
213.0 1.8
214.0 4.9
215.0 7.2
216.0 7.2
217.0 8.9
218.0 4.3
219.0 4.5
220.0 1.5
221.0 1.2
225.0 3.3
226.0 7.1
227.0 11.8
228.0 9.6
229.0 12.6
230.0 5.4
231.0 5.7
232.0 1.5
233.0 1.3
235.0 34.1
236.0 3.3
237.0 53.2
238.0 4.9
239.0 34.8
240.0 2.9
241.0 14.4
242.0 1.6
243.0 18.8
244.0 2.0
245.0 18.7
246.0 1.7
247.0 8.3
248.0 1.0
249.0 2.4
250.0 1.1
251.0 1.8
252.0 1.3
253.0 1.5
254.0 4.8
255.0 1.0
256.0 5.5
258.0 2.8
259.0 4.8
260.0 1.4
261.0 65.0
262.0 5.7
263.0 100.0
264.0 8.0
265.0 63.2
266.0 5.3
267.0 20.7
268.0 1.8
269.0 5.7
270.0 22.6
271.0 6.8
272.0 43.0
273.0 6.6
274.0 34.4
275.0 3.4
276.0 14.9
277.0 5.9
278.0 4.0
279.0 8.6
280.0 1.4
281.0 5.9
283.0 1.9
284.0 1.0
286.0 1.5
287.0 1.3
288.0 1.4
289.0 4.5
290.0 1.1
291.0 5.4
293.0 3.1
294.0 2.6
295.0 1.4
296.0 4.0
297.0 1.2
298.0 3.4
299.0 1.3
300.0 2.0
305.0 13.0
306.0 2.1
307.0 23.1
308.0 3.6
309.0 17.8
310.0 2.5
311.0 7.6
312.0 2.2
313.0 1.8
314.0 2.5
315.0 8.4
316.0 2.5
317.0 10.8
318.0 1.8
319.0 5.3
321.0 1.2
322.0 1.2
324.0 1.6
326.0 1.0
333.0 16.2
334.0 1.9
335.0 25.7
336.0 2.8
337.0 16.5
338.0 1.7
339.0 5.4
340.0 1.5
341.0 1.3
342.0 1.8
344.0 1.6
351.0 1.6
353.0 2.6
355.0 1.7
368.0 5.9
370.0 12.3
371.0 1.5
372.0 9.3
373.0 1.1
374.0 4.1
376.0 1.0
386.0 4.4
388.0 8.3
390.0 7.0
392.0 3.0
90 MHz in CDCl3
parameter in CDCl3