CID 204573

16626-99-6

Structural Information

Molecular Formula

C₃H₃Cl₃O₂S₂

SMILES

CS(=O)(=O)SC(=C(Cl)Cl)Cl

InChI

InChI=1S/C3H3Cl3O2S2/c1-10(7,8)9-3(6)2(4)5/h1H3

InChIKey

INOFEPBGTAZLCY-UHFFFAOYSA-N

Compound name

1,1,2-trichloro-2-methylsulfonylsulfanylethene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 239.864 Da
Monoisotopic Mass: 2.5
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]+	240.87128	137.1
[M+Na]+	262.85322	145.7
[M-H]-	238.85672	137.5
[M+NH4]+	257.89782	156.2
[M+K]+	278.82716	140.3
[M+H-H2O]+	222.86126	136.4
[M+HCOO]-	284.86220	133.8
[M+CH3COO]-	298.87785	183.9
[M+Na-2H]-	260.83867	136.7
[M]+	239.86345	140.6
[M]-	239.86455	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.