CID 2743732

59865-87-1

Structural Information

Molecular Formula

C₈H₈ClNO₂S₂

SMILES

C1=CC(=CC=C1S(=O)(=O)CC(=S)N)Cl

InChI

InChI=1S/C8H8ClNO2S2/c9-6-1-3-7(4-2-6)14(11,12)5-8(10)13/h1-4H,5H2,(H2,10,13)

InChIKey

OGQJCNYNVJXWBB-UHFFFAOYSA-N

Compound name

2-(4-chlorophenyl)sulfonylethanethioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 248.9685 Da
Monoisotopic Mass: 1.3
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]+	249.97578	148.2
[M+Na]+	271.95772	157.0
[M-H]-	247.96122	151.5
[M+NH4]+	267.00232	166.2
[M+K]+	287.93166	150.5
[M+H-H2O]+	231.96576	143.6
[M+HCOO]-	293.96670	156.0
[M+CH3COO]-	307.98235	188.7
[M+Na-2H]-	269.94317	149.5
[M]+	248.96795	150.4
[M]-	248.96905	150.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe