3,4-Difluorobenzoic acid(455-86-7) MS
Product Name3,4-Difluorobenzoic acid
CAS455-86-7
Molecular FormulaC7H4F2O2
Molecular Weight158.1
InChIInChI=1S/C7H4F2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
InChIKey FPENCTDAQQQKNY-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=C(F)C(F)=C1
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MassMS-NW-9216 3,4-difluorobenzoic acid C7H4F2O2 (Mass of molecular ion: 158)
Source Temperature: 260 °C Sample Temperature: 160 °C Reservoir, 75 eV
28.0 1.1 31.0 3.1 37.0 2.1 38.0 1.2 45.0 3.6 50.0 4.2 51.0 1.4 56.0 1.6 56.5 1.8 57.0 3.2 61.0 3.4 62.0 6.1 63.0 24.9 64.0 1.8 65.0 1.2 68.0 4.2 69.0 2.1 70.5 2.7 73.0 1.0 74.0 3.4 75.0 2.8 81.0 3.0 83.0 1.0 87.0 1.4 88.0 2.6 92.0 1.6 93.0 4.1 94.0 2.9 101.0 2.0 112.0 4.1 113.0 65.9 114.0 6.7 130.0 1.6 141.0 100.0 142.0 7.7 158.0 78.1 159.0 6.0
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
