CID 104356

52913-45-8

Structural Information

Molecular Formula

C₈H₁₀ClNO₂S₂

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)SCl

InChI

InChI=1S/C8H10ClNO2S2/c1-7-3-5-8(6-4-7)14(11,12)10(2)13-9/h3-6H,1-2H3

InChIKey

NAWQKWLDGDPPJR-UHFFFAOYSA-N

Compound name

[methyl-(4-methylphenyl)sulfonylamino] thiohypochlorite

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 79
Patents: 250.98415 Da
Monoisotopic Mass: 2.7
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]+	251.99143	152.7
[M+Na]+	273.97337	164.1
[M+NH4]+	269.01797	161.4
[M+K]+	289.94731	154.6
[M-H]-	249.97687	154.8
[M+Na-2H]-	271.95882	158.1
[M]+	250.98360	156.2
[M]-	250.98470	156.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe