Bromoacetic acid(79-08-3) MS
Product NameBromoacetic acid
CAS79-08-3
Molecular FormulaC2H3BrO2
Molecular Weight138.95
InChIInChI=1S/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5)
InChIKey KDPAWGWELVVRCH-UHFFFAOYSA-N
SmilesC(O)(=O)CBr
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MassMS-NW-1809 bromoacetic acid C2H3BrO2 (Mass of molecular ion: 138)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
12.0 1.1 13.0 3.8 14.0 11.4 15.0 37.2 17.0 1.1 18.0 1.6 28.0 6.1 29.0 11.7 30.0 1.1 31.0 11.8 41.0 4.8 42.0 19.4 43.0 1.4 44.0 5.1 45.0 40.1 59.0 2.0 79.0 6.4 80.0 3.5 81.0 6.5 82.0 3.4 91.0 3.0 92.0 4.5 93.0 35.1 94.0 100.0 95.0 33.5 96.0 93.0 97.0 1.0 120.0 1.2 121.0 3.5 122.0 1.2 123.0 3.4 138.0 41.8 139.0 1.1 140.0 40.3 141.0 1.0
parameter in CDCl3
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1H NMR 300 MHz C2 H3 Br O2 0.042 g : 0.5 ml CDCl3 bromoacetic acid 
Parameter ppm Hz
D(A) 10.32 D(B) 3.900
Hz ppm Int.3096.00 10.320 151 1170.03 3.900 1000
in CDCl3
CCl4 solution
KBr disc
liquid film
nujol mull
4880 A,200 M,powder
