CID 97281

N-(phenylsulphonyl)sulphanilamide

Structural Information

Molecular Formula
C12H12N2O4S2
SMILES
C1=CC=C(C=C1)S(=O)(=O)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C12H12N2O4S2/c13-10-6-8-12(9-7-10)20(17,18)14-19(15,16)11-4-2-1-3-5-11/h1-9,14H,13H2
InChIKey
TXWROWPXUQZXFZ-UHFFFAOYSA-N
Compound name
4-amino-N-(benzenesulfonyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

312.02383 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.03111 167.3
[M+Na]+ 335.01305 174.9
[M-H]- 311.01655 173.0
[M+NH4]+ 330.05765 180.9
[M+K]+ 350.98699 168.7
[M+H-H2O]+ 295.02109 159.9
[M+HCOO]- 357.02203 181.1
[M+CH3COO]- 371.03768 200.9
[M+Na-2H]- 332.99850 173.3
[M]+ 312.02328 168.0
[M]- 312.02438 168.0
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

patents stripe