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

1036
Patents

297.01294 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.02022 164.5
[M+Na]+ 320.00216 172.4
[M-H]- 296.00566 170.8
[M+NH4]+ 315.04676 179.3
[M+K]+ 335.97610 166.8
[M+H-H2O]+ 280.01020 157.4
[M+HCOO]- 342.01114 178.3
[M+CH3COO]- 356.02679 195.2
[M+Na-2H]- 317.98761 171.1
[M]+ 297.01239 166.7
[M]- 297.01349 166.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.