2-Fluoro-5-nitrobenzoic acid (7304-32-7) IR2

Product Name2-Fluoro-5-nitrobenzoic acid

CAS 7304-32-7

Molecular FormulaC7H4FNO4

Molecular Weight185.11

InChIInChI=1S/C7H4FNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,(H,10,11)

InChIKey ICXSHFWYCHJILC-UHFFFAOYSA-N

SmilesC(O)(=O)C1=CC([N+]([O-])=O)=CC=C1F

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2-Fluoro-5-nitrobenzoic acid (7304-32-7) IR2
Mass

MS-KW-0418          
2-fluoro-5-nitrobenzoic acid 
C7H4FNO4            (Mass of molecular ion:    185)

   Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      17.0       2.2
      18.0      11.0
      28.0       2.7
      30.0      23.6
      31.0       3.3
      37.0       2.2
      38.0       1.8
      39.0       3.1
      44.0       4.0
      45.0       6.5
      47.0       4.9
      48.0       2.4
      49.0       2.3
      50.0      12.7
      51.0       7.7
      53.0       1.8
      55.0       1.0
      56.0       1.9
      57.0      21.6
      61.0       3.1
      62.0       3.3
      63.0       6.5
      68.0       9.6
      69.0       4.6
      71.0       2.1
      73.0       2.6
      74.0      11.9
      75.0      20.5
      76.0       1.9
      79.0       4.9
      80.0       1.1
      81.0       3.2
      82.0       4.3
      83.0      87.4
      84.0       4.7
      85.0      15.0
      87.0       2.6
      91.0       2.2
      92.0       3.2
      93.0      14.5
      94.0      24.9
      95.0       4.8
      99.0       2.9
     107.0      13.3
     108.0       1.2
     109.0       1.0
     110.0       5.0
     111.0       7.2
     120.0       1.0
     121.0       8.0
     122.0      15.5
     123.0       1.7
     135.0      16.1
     136.0       1.4
     138.0       1.0
     139.0      30.1
     140.0       2.6
     141.0       1.5
     155.0      19.0
     156.0       1.5
     168.0      10.5
     169.0       6.1
     184.0       1.0
     185.0     100.0
     186.0       8.5
     187.0       1.2

400 MHz in DMSO-d6

2-Fluoro-5-nitrobenzoic acid (7304-32-7) IR2

¹H NMR	399.65 MHz
C₇H₄FNO₄	0.039 g : 0.5 ml DMSO-d₆
2-fluoro-5-nitrobenzoic acid

    Assign.     Shift(ppm)

     A           8.610
     B           8.495
     C           7.628

     Hz     ppm     Int.

   3446.81   8.622    749
   3443.76   8.615    860
   3440.56   8.607    778
   3437.50   8.599    821
   3403.78   8.515    476
   3400.58   8.507    535
   3399.82   8.505    601
   3396.76   8.497    468
   3394.63   8.492    496
   3391.42   8.484    559
   3390.81   8.482    568
   3387.61   8.474    397
   3058.63   7.651    745
   3048.86   7.627   1000
   3039.56   7.604    702

in DMSO-d6