CID 11480795

Acetic acid 3-bromo-1-propenyl ester

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 129.0
[M+Na]+ 200.95216 130.5
[M+NH4]+ 195.99676 133.1
[M+K]+ 216.92610 131.4
[M-H]- 176.95566 126.8
[M+Na-2H]- 198.93761 130.1
[M]+ 177.96239 127.2
[M]- 177.96349 127.2
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.