2-Amino-5-fluorobenzoic acid(446-08-2) MS
Product Name2-Amino-5-fluorobenzoic acid
CAS446-08-2
Molecular FormulaC7H6FNO2
Molecular Weight155.13
InChIInChI=1S/C7H6FNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)
InChIKey FPQMGQZTBWIHDN-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC(F)=CC=C1N
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MassMS-KW-0563 5-fluoroanthranilic Acid C7H6FNO2 (Mass of molecular ion: 155)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 1.5 28.0 3.5 31.0 2.4 37.0 1.0 38.0 1.6 39.0 2.1 45.0 1.6 50.0 1.4 51.0 2.1 52.0 3.8 53.0 1.1 54.5 6.3 55.0 4.6 56.0 2.5 57.0 8.5 61.0 1.9 62.0 3.1 63.0 6.5 64.0 1.7 65.0 1.3 68.0 1.0 68.5 2.3 69.0 2.0 77.5 1.2 81.0 6.1 82.0 25.2 83.0 16.5 84.0 3.0 89.0 3.4 90.0 3.1 94.0 1.8 108.0 3.7 109.0 53.8 110.0 40.8 111.0 3.8 137.0 100.0 138.0 11.0 155.0 67.4 156.0 5.6
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7H6FNO2 0.040 g : 0.5 ml DMSO-d6 5-fluoroanthranilic acid 
Assign. Shift(ppm)
A 8.6 B 7.420 C 7.164 D 6.796
Hz ppm Int.3476.87 8.697 36 3452.61 8.637 40 3440.25 8.606 41 3414.01 8.540 42 3403.63 8.514 41 3388.52 8.476 41 2972.57 7.436 866 2969.52 7.428 909 2962.65 7.411 884 2959.60 7.404 870 2874.30 7.190 597 2871.10 7.182 553 2866.22 7.170 765 2865.30 7.168 823 2863.01 7.162 692 2862.10 7.160 741 2857.21 7.147 682 2854.01 7.139 588 2723.39 6.813 962 2718.51 6.800 1000 2714.24 6.790 869 2709.36 6.778 821
in DMSO-d6
KBr disk
Nujol
