Bromoacetyl bromide(598-21-0) MS
Product NameBromoacetyl bromide
CAS598-21-0
Molecular FormulaC2H2Br2O
Molecular Weight201.84
InChIInChI=1S/C2H2Br2O/c3-1-2(4)5/h1H2
InChIKey LSTRKXWIZZZYAS-UHFFFAOYSA-N
SmilesC(Br)(CBr)=O
-
MassMS-NW-2899 bromoacetyl bromide C2H2Br2O (Mass of molecular ion: 200)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
12.0 1.1 13.0 4.2 14.0 10.6 15.0 1.1 25.0 1.4 26.0 1.9 28.0 2.5 29.0 1.7 36.0 2.2 41.0 5.5 42.0 34.5 43.0 1.0 49.0 1.1 79.0 8.0 80.0 2.1 81.0 7.8 82.0 2.1 91.0 2.6 92.0 4.5 93.0 29.9 94.0 6.1 95.0 27.6 96.0 1.9 120.0 4.4 121.0 100.0 122.0 6.5 123.0 96.2 124.0 2.2
parameter in CDCl3
-
1H NMR 300 MHz C2 H2 Br2 O 0.05 ml : 0.5 ml CDCl3 bromoacetyl bromide 
Parameter ppm Hz
D(A) 4.474
Hz ppm Int.1342.20 4.474 1000
in CDCl3
liquid film
