CID 74269

Malonyl chloride

Structural Information

Molecular Formula

C₃H₂Cl₂O₂

SMILES

C(C(=O)Cl)C(=O)Cl

InChI

InChI=1S/C3H2Cl2O2/c4-2(6)1-3(5)7/h1H2

InChIKey

SXYFKXOFMCIXQW-UHFFFAOYSA-N

Compound name

propanedioyl dichloride

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 12
References: 6433
Patents: 139.94319 Da
Monoisotopic Mass: 1.5
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]+	140.950466	118.0
[M+Na]+	162.932408	127.7
[M-H]-	138.935914	118.4
[M+NH4]+	157.977013	140.8
[M+K]+	178.906348	125.0
[M+H-H2O]+	122.940450	116.2
[M+HCOO]-	184.941391	132.3
[M+CH3COO]-	198.957041	170.9
[M+Na-2H]-	160.917856	123.4
[M]+	139.94264142	121.0
[M]-	139.94373858	121.0

Literature stripe

literature stripe

Patent stripe

patents stripe