2-Fluoro-5-nitrobenzoic acid (7304-32-7) MS
Product Name2-Fluoro-5-nitrobenzoic acid
CAS7304-32-7
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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MassMS-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
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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
KBr disk
Nujol
