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]+ 178.97022 127.9
[M+Na]+ 200.95216 139.5
[M-H]- 176.95566 131.3
[M+NH4]+ 195.99676 151.6
[M+K]+ 216.92610 129.8
[M+H-H2O]+ 160.96020 128.9
[M+HCOO]- 222.96114 149.4
[M+CH3COO]- 236.97679 176.8
[M+Na-2H]- 198.93761 135.5
[M]+ 177.96239 147.8
[M]- 177.96349 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.