CID 11480795

4957-34-0

Structural Information

Molecular Formula
C5H7BrO2
SMILES
CC(=O)O/C=C/CBr
InChI
InChI=1S/C5H7BrO2/c1-5(7)8-4-2-3-6/h2,4H,3H2,1H3/b4-2+
InChIKey
JJPZBCGMCATWNR-DUXPYHPUSA-N
Compound name
[(E)-3-bromoprop-1-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.96294 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.970216 127.9
[M+Na]+ 200.952158 139.5
[M-H]- 176.955664 131.3
[M+NH4]+ 195.996763 151.6
[M+K]+ 216.926098 129.8
[M+H-H2O]+ 160.960200 128.9
[M+HCOO]- 222.961141 149.4
[M+CH3COO]- 236.976791 176.8
[M+Na-2H]- 198.937606 135.5
[M]+ 177.96239142 147.8
[M]- 177.96348858 147.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.