CID 643842

31930-34-4

Structural Information

Molecular Formula

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: 55
Patents: 177.96294 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe