496-69-5

2-溴-4-氟苯酚(496-69-5)質(zhì)譜(MS)

產(chǎn)品名稱:2-溴-4-氟苯酚

CAS:496-69-5

分子式:C6H4BrFO

分子量: 191

InChI:InChI=1S/C6H4BrFO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H

InChIKey: MEYRABVEYCFHHB-UHFFFAOYSA-N

Smiles:C1(O)=CC=C(F)C=C1Br

Mass

MS-IW-4836          
2-bromo-4-fluorophenol
C6H4BrFO            (Mass of molecular ion:    190)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      28.0       1.4
      31.0       3.5
      37.0       1.4
      38.0       1.4
      39.0       1.1
      41.0       1.7
      50.0       1.7
      53.0       2.7
      55.0       7.1
      56.0       3.9
      57.0      11.8
      61.0       3.0
      62.0       2.9
      63.0       8.0
      80.0       1.4
      81.0      11.0
      82.0      54.4
      83.0      31.4
      84.0       1.9
      95.0       4.2
      96.0       3.9
     110.0      11.4
     111.0       8.1
     135.0       1.0
     137.0       1.0
     161.0       3.4
     163.0       3.3
     190.0     100.0
     191.0       7.4
     192.0      97.3
     193.0       6.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₄ Br F O	0.035 g : 0.5 ml CDCl₃
2-bromo-4-fluorophenol

    Assign.     Shift(ppm)

      A             7.211
      B             6.97
      C             6.96
      D             5.35

     Hz     ppm     Int.

   2887.82   7.226    248
   2886.84   7.224    269
   2885.50   7.221    264
   2884.52   7.218    278
   2880.00   7.207    273
   2879.27   7.205    293
   2877.56   7.201    270
   2876.83   7.199    282
   2795.90   6.996     58
   2791.14   6.984     70
   2790.41   6.983     97
   2787.84   6.976    566
   2787.11   6.974    737
   2784.91   6.969    383
   2782.23   6.962    485
   2781.49   6.960    467
   2780.03   6.957    405
   2777.59   6.951    341
   2775.88   6.946     66
   2771.00   6.934     53
   2768.55   6.928     67
   2138.18   5.351   1000

in CDCl3