CID 103436

Amidosulfenyl chloride, n-methyl-n-(phenylsulfonyl)-

Structural Information

Molecular Formula

C₇H₈ClNO₂S₂

SMILES

CN(SCl)S(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C7H8ClNO2S2/c1-9(12-8)13(10,11)7-5-3-2-4-6-7/h2-6H,1H3

InChIKey

RKURYNQAEZHSEQ-UHFFFAOYSA-N

Compound name

[benzenesulfonyl(methyl)amino] thiohypochlorite

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 60
Patents: 236.9685 Da
Monoisotopic Mass: 2.6
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]+	237.97578	144.8
[M+Na]+	259.95772	153.5
[M-H]-	235.96122	150.0
[M+NH4]+	255.00232	164.1
[M+K]+	275.93166	149.1
[M+H-H2O]+	219.96576	139.8
[M+HCOO]-	281.96670	155.0
[M+CH3COO]-	295.98235	188.7
[M+Na-2H]-	257.94317	148.4
[M]+	236.96795	149.9
[M]-	236.96905	149.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe