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: 4737
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]+	152.950466	121.7
[M+Na]+	174.932408	131.4
[M-H]-	150.935914	122.0
[M+NH4]+	169.977013	144.0
[M+K]+	190.906348	127.8
[M+H-H2O]+	134.940450	119.8
[M+HCOO]-	196.941391	135.8
[M+CH3COO]-	210.957041	172.2
[M+Na-2H]-	172.917856	126.5
[M]+	151.94264142	124.3
[M]-	151.94373858	124.3

Literature stripe

literature stripe

Patent stripe

patents stripe