CID 89201

19721-74-5

Structural Information

Molecular Formula

C₄H₆Cl₄O₂S

SMILES

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

InChI

InChI=1S/C4H6Cl4O2S/c5-1-3(7)11(9,10)4(8)2-6/h3-4H,1-2H2

InChIKey

QTJJOZORJHAYSE-UHFFFAOYSA-N

Compound name

1,2-dichloro-1-(1,2-dichloroethylsulfonyl)ethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 257.88425 Da
Monoisotopic Mass: 2.3
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]+	258.89153	142.4
[M+Na]+	280.87347	150.4
[M-H]-	256.87697	141.1
[M+NH4]+	275.91807	160.3
[M+K]+	296.84741	145.9
[M+H-H2O]+	240.88151	142.0
[M+HCOO]-	302.88245	138.8
[M+CH3COO]-	316.89810	189.9
[M+Na-2H]-	278.85892	142.3
[M]+	257.88370	145.5
[M]-	257.88480	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe