2-Bromo-2-phenylacetic acid(4870-65-9) MS
Product Name2-Bromo-2-phenylacetic acid
CAS4870-65-9
Molecular FormulaC8H7BrO2
Molecular Weight215.04
InChIInChI=1S/C8H7BrO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)
InChIKey WAKFRZBXTKUFIW-UHFFFAOYSA-N
SmilesC1(C=CC=CC=1)C(Br)C(=O)O
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MassMS-NW-4864 alpha-bromophenylacetic acid C8H7BrO2 (Mass of molecular ion: 214)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 1.2 27.0 1.1 28.0 1.5 29.0 1.1 38.0 1.7 39.0 5.6 40.0 1.0 44.0 4.6 45.0 1.1 50.0 2.1 51.0 4.7 52.0 1.3 62.0 2.0 63.0 6.1 64.0 2.8 65.0 3.0 77.0 11.9 78.0 3.3 79.0 27.8 80.0 5.5 81.0 1.3 82.0 5.4 89.0 14.1 90.0 22.6 91.0 17.4 92.0 2.8 105.0 5.0 106.0 2.8 107.0 20.7 108.0 1.9 118.0 10.0 119.0 1.0 135.0 100.0 136.0 12.2 137.0 1.3 169.0 7.0 171.0 6.7 178.0 1.1 179.0 1.8 180.0 2.6 214.0 3.5 216.0 3.5
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
