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

879
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

literature stripe

Patent stripe

patents stripe