CID 74945

2-bromomalonaldehyde

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C3H3BrO2/c4-3(1-5)2-6/h1-3H

InChIKey

SURMYNZXHKLDFO-UHFFFAOYSA-N

Compound name

2-bromopropanedial

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 1653
Patents: 149.93164 Da
Monoisotopic Mass: 0.2
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]+	150.93892	118.2
[M+Na]+	172.92086	130.4
[M-H]-	148.92436	121.8
[M+NH4]+	167.96546	142.8
[M+K]+	188.89480	121.3
[M+H-H2O]+	132.92890	119.6
[M+HCOO]-	194.92984	140.3
[M+CH3COO]-	208.94549	172.4
[M+Na-2H]-	170.90631	126.9
[M]+	149.93109	137.5
[M]-	149.93219	137.5

Literature stripe

literature stripe

Patent stripe

patents stripe