CID 90893

23248-53-5

Structural Information

Molecular Formula

C₄H₂Cl₄OS

SMILES

C(=C(S(=O)C(=CCl)Cl)Cl)Cl

InChI

InChI=1S/C4H2Cl4OS/c5-1-3(7)10(9)4(8)2-6/h1-2H

InChIKey

QRJJBBCDCLDZOO-UHFFFAOYSA-N

Compound name

1,2-dichloro-1-(1,2-dichloroethenylsulfinyl)ethene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 237.85805 Da
Monoisotopic Mass: 2.8
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]+	238.86533	137.6
[M+Na]+	260.84727	145.6
[M-H]-	236.85077	136.1
[M+NH4]+	255.89187	156.2
[M+K]+	276.82121	140.2
[M+H-H2O]+	220.85531	137.4
[M+HCOO]-	282.85625	134.5
[M+CH3COO]-	296.87190	186.6
[M+Na-2H]-	258.83272	135.9
[M]+	237.85750	138.6
[M]-	237.85860	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe