CID 74731

2,2-methylenesuccinyl dichloride

Structural Information

Molecular Formula

C₅H₄Cl₂O₂

SMILES

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

InChI

InChI=1S/C5H4Cl2O2/c1-3(5(7)9)2-4(6)8/h1-2H2

InChIKey

CGCRIQNPIBHVCQ-UHFFFAOYSA-N

Compound name

2-methylidenebutanedioyl dichloride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 728
Patents: 165.95883 Da
Monoisotopic Mass: 1.8
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]+	166.96611	125.5
[M+Na]+	188.94805	134.5
[M-H]-	164.95155	125.7
[M+NH4]+	183.99265	147.1
[M+K]+	204.92199	131.0
[M+H-H2O]+	148.95609	123.5
[M+HCOO]-	210.95703	138.4
[M+CH3COO]-	224.97268	176.7
[M+Na-2H]-	186.93350	128.6
[M]+	165.95828	128.1
[M]-	165.95938	128.1

Literature stripe

literature stripe

Patent stripe

patents stripe