CID 6436411

4-bromocrotonic acid

Structural Information

Molecular Formula

SMILES

C(/C=C/C(=O)O)Br

InChI

InChI=1S/C4H5BrO2/c5-3-1-2-4(6)7/h1-2H,3H2,(H,6,7)/b2-1+

InChIKey

DOTGZROJTAUYFQ-OWOJBTEDSA-N

Compound name

(E)-4-bromobut-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 12
References: 1266
Patents: 163.9473 Da
Monoisotopic Mass: 0.8
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]+	164.95458	125.6
[M+Na]+	186.93652	126.8
[M+NH4]+	181.98112	129.5
[M+K]+	202.91046	128.1
[M-H]-	162.94002	123.0
[M+Na-2H]-	184.92197	126.3
[M]+	163.94675	123.5
[M]-	163.94785	123.5

Literature stripe

literature stripe

Patent stripe

patents stripe