Pentafluorobenzoic acid(602-94-8) IR1
Product NamePentafluorobenzoic acid
CAS602-94-8
Molecular FormulaC7HF5O2
Molecular Weight212.07
InChIInChI=1S/C7HF5O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H,13,14)
InChIKey YZERDTREOUSUHF-UHFFFAOYSA-N
SmilesC(O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F
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MassMS-NW-1933 pentafluorobenzoic acid C7HF5O2 (Mass of molecular ion: 212)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
16.0 1.4 28.0 2.9 31.0 16.6 37.0 1.4 44.0 36.2 45.0 5.8 55.0 2.4 56.0 1.7 61.0 1.9 68.0 3.3 69.0 4.3 74.0 4.0 75.0 7.5 79.0 7.6 80.0 4.4 84.0 2.4 86.0 2.8 87.0 1.2 93.0 12.9 98.0 8.5 99.0 52.1 100.0 2.9 106.0 1.1 110.0 1.0 117.0 22.7 118.0 9.6 124.0 2.4 137.0 16.9 138.0 1.2 148.0 8.3 149.0 8.4 167.0 15.6 168.0 100.0 169.0 6.5 192.0 1.5 195.0 23.2 196.0 1.8 212.0 23.1 213.0 1.8
KBr disc
