CID 82633

2-bromoacrylic acid

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C3H3BrO2/c1-2(4)3(5)6/h1H2,(H,5,6)

InChIKey

HMENQNSSJFLQOP-UHFFFAOYSA-N

Compound name

2-bromoprop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 2695
Patents: 149.93164 Da
Monoisotopic Mass: 1.3
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]+	150.938916	120.1
[M+Na]+	172.920858	131.5
[M-H]-	148.924364	122.3
[M+NH4]+	167.965463	143.8
[M+K]+	188.894798	121.8
[M+H-H2O]+	132.928900	121.5
[M+HCOO]-	194.929841	139.7
[M+CH3COO]-	208.945491	170.6
[M+Na-2H]-	170.906306	126.8
[M]+	149.93109142	136.9
[M]-	149.93218858	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe