4-Bromomethylbenzoic acid(6232-88-8) MS
Product Name4-Bromomethylbenzoic acid
CAS6232-88-8
Molecular FormulaC8H7BrO2
Molecular Weight215.04
InChIInChI=1S/C8H7BrO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2,(H,10,11)
InChIKey CQQSQBRPAJSTFB-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=C(CBr)C=C1
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MassMS-NW-2418 alpha-bromo-p-toluic acid C8H7BrO2 (Mass of molecular ion: 214)
Source Temperature: 220 °C Sample Temperature: 130 °C Direct, 75 eV
18.0 2.7 28.0 1.1 38.0 1.5 39.0 4.4 45.0 1.5 50.0 2.3 51.0 3.1 59.0 1.0 61.0 1.0 62.0 2.7 63.0 6.8 64.0 2.3 65.0 2.0 77.0 4.3 79.0 1.0 89.0 9.1 90.0 11.3 91.0 3.7 107.0 26.7 108.0 2.1 118.0 5.2 119.0 2.1 135.0 100.0 136.0 10.7 214.0 4.5 216.0 4.4
KBr disc
nujol mull
