CID 20963

2-bromoethyl acrylate

Structural Information

Molecular Formula
C5H7BrO2
SMILES
C=CC(=O)OCCBr
InChI
InChI=1S/C5H7BrO2/c1-2-5(7)8-4-3-6/h2H,1,3-4H2
InChIKey
CDZAAIHWZYWBSS-UHFFFAOYSA-N
Compound name
2-bromoethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2028
Patents

177.96294 Da
Monoisotopic Mass

1.2
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

patents stripe