CID 5325504

Fumaryl chloride

Structural Information

Molecular Formula

C₄H₂Cl₂O₂

SMILES

C(=C/C(=O)Cl)\C(=O)Cl

InChI

InChI=1S/C4H2Cl2O2/c5-3(7)1-2-4(6)8/h1-2H/b2-1+

InChIKey

ZLYYJUJDFKGVKB-OWOJBTEDSA-N

Compound name

(E)-but-2-enedioyl dichloride

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 3
References: 3944
Patents: 151.94319 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]+	152.95047	121.7
[M+Na]+	174.93241	131.4
[M-H]-	150.93591	122.0
[M+NH4]+	169.97701	144.0
[M+K]+	190.90635	127.8
[M+H-H2O]+	134.94045	119.8
[M+HCOO]-	196.94139	135.8
[M+CH3COO]-	210.95704	172.2
[M+Na-2H]-	172.91786	126.5
[M]+	151.94264	124.3
[M]-	151.94374	124.3

Literature stripe

literature stripe

Patent stripe

patents stripe