CID 643842

Ethyl cis-3-bromoacrylate

Structural Information

Molecular Formula
C5H7BrO2
SMILES
CCOC(=O)/C=C\Br
InChI
InChI=1S/C5H7BrO2/c1-2-8-5(7)3-4-6/h3-4H,2H2,1H3/b4-3-
InChIKey
UJTJVQIYRQALIK-ARJAWSKDSA-N
Compound name
ethyl (Z)-3-bromoprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

177.96294 Da
Monoisotopic Mass

1.4
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