CID 75671

2618-96-4

Structural Information

Molecular Formula

C₁₂H₁₁NO₄S₂

SMILES

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

InChI

InChI=1S/C12H11NO4S2/c14-18(15,11-7-3-1-4-8-11)13-19(16,17)12-9-5-2-6-10-12/h1-10,13H

InChIKey

OVQABVAKPIYHIG-UHFFFAOYSA-N

Compound name

N-(benzenesulfonyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 1038
Patents: 297.01294 Da
Monoisotopic Mass: 0.5
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]+	298.020216	164.5
[M+Na]+	320.002158	172.4
[M-H]-	296.005664	170.8
[M+NH4]+	315.046763	179.3
[M+K]+	335.976098	166.8
[M+H-H2O]+	280.010200	157.4
[M+HCOO]-	342.011141	178.3
[M+CH3COO]-	356.026791	195.2
[M+Na-2H]-	317.987606	171.1
[M]+	297.01239142	166.7
[M]-	297.01348858	166.7

Literature stripe

literature stripe

Patent stripe

patents stripe