2,3,5,6-Tetrafluorobenzoic acid(652-18-6) IR1
Product Name2,3,5,6-Tetrafluorobenzoic acid
CAS652-18-6
Molecular FormulaC7H2F4O2
Molecular Weight194.08
InChIInChI=1S/C7H2F4O2/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1H,(H,12,13)
InChIKey KVLBXIOFJUWSJQ-UHFFFAOYSA-N
SmilesC(O)(=O)C1=C(F)C(F)=CC(F)=C1F
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MassMS2002-00847WA 2,3,5,6-tetrafluorobenzoic acid C7H2F4O2 (Mass of molecular ion: 194)
Source Temperature: 250 °C Sample Temperature: 230 °C Reservoir, 70 eV
16.0 1.0 28.0 1.0 31.0 12.3 37.0 2.3 44.0 23.4 45.0 7.1 50.0 2.5 51.0 1.2 55.0 2.1 56.0 3.5 57.0 1.4 61.0 6.6 62.0 2.3 68.0 3.8 69.0 2.7 74.0 3.0 75.0 16.2 79.0 5.9 80.0 12.8 81.0 39.7 82.0 2.2 86.0 3.2 87.0 1.4 88.5 3.0 92.0 1.9 93.0 4.1 98.0 3.2 99.0 49.5 100.0 9.3 106.0 3.3 110.0 1.2 111.0 1.6 117.0 2.0 118.0 3.1 119.0 14.3 130.0 18.9 131.0 5.0 146.0 2.6 149.0 35.7 150.0 100.0 151.0 6.3 166.0 1.6 174.0 4.1 177.0 40.0 178.0 3.0 194.0 53.1 195.0 4.1
KBr disk
Nujol
