CID 12198916

667-20-9

Structural Information

Molecular Formula

C₁₂H₁₀N₂O₄S₃

SMILES

C1=CC=C(C=C1)S(=O)(=O)N=S=NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C12H10N2O4S3/c15-20(16,11-7-3-1-4-8-11)13-19-14-21(17,18)12-9-5-2-6-10-12/h1-10H

InChIKey

WDFKHANKUMDDBM-UHFFFAOYSA-N

Compound name

N-(benzenesulfonylimino-lambda4-sulfanylidene)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 341.98026 Da
Monoisotopic Mass: 4.0
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]+	342.98754	172.8
[M+Na]+	364.96948	182.5
[M+NH4]+	360.01408	179.3
[M+K]+	380.94342	172.0
[M-H]-	340.97298	175.7
[M+Na-2H]-	362.95493	180.1
[M]+	341.97971	176.2
[M]-	341.98081	176.2

Literature stripe

literature stripe

Patent stripe

patents stripe