CID 249594

4,4'-dichlorodiphenyldisulfimide

Structural Information

Molecular Formula

C₁₂H₉Cl₂NO₄S₂

SMILES

C1=CC(=CC=C1S(=O)(=O)NS(=O)(=O)C2=CC=C(C=C2)Cl)Cl

InChI

InChI=1S/C12H9Cl2NO4S2/c13-9-1-5-11(6-2-9)20(16,17)15-21(18,19)12-7-3-10(14)4-8-12/h1-8,15H

InChIKey

ISLGMFCNZJGDTA-UHFFFAOYSA-N

Compound name

4-chloro-N-(4-chlorophenyl)sulfonylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 364.935 Da
Monoisotopic Mass: 1.8
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]+	365.94228	174.0
[M+Na]+	387.92422	183.9
[M-H]-	363.92772	181.0
[M+NH4]+	382.96882	188.0
[M+K]+	403.89816	176.5
[M+H-H2O]+	347.93226	169.3
[M+HCOO]-	409.93320	178.4
[M+CH3COO]-	423.94885	205.4
[M+Na-2H]-	385.90967	178.7
[M]+	364.93445	180.1
[M]-	364.93555	180.1

Literature stripe

literature stripe

Patent stripe

patents stripe