CID 6433436

63917-06-6

Structural Information

Molecular Formula

C₈H₁₀Cl₂O₄

SMILES

C(CCl)OC(=O)/C=C\C(=O)OCCCl

InChI

InChI=1S/C8H10Cl2O4/c9-3-5-13-7(11)1-2-8(12)14-6-4-10/h1-2H,3-6H2/b2-1-

InChIKey

NUZFFMJRNXNVCA-UPHRSURJSA-N

Compound name

bis(2-chloroethyl) (Z)-but-2-enedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 239.99562 Da
Monoisotopic Mass: 1.4
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]+	241.00290	145.9
[M+Na]+	262.98484	155.9
[M+NH4]+	258.02944	151.9
[M+K]+	278.95878	150.6
[M-H]-	238.98834	143.1
[M+Na-2H]-	260.97029	147.9
[M]+	239.99507	146.6
[M]-	239.99617	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe