CID 84601

14706-41-3

Structural Information

Molecular Formula
C13H13NO4S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NS(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C13H13NO4S2/c1-11-7-9-13(10-8-11)20(17,18)14-19(15,16)12-5-3-2-4-6-12/h2-10,14H,1H3
InChIKey
MBPSWVGSUGQOSI-UHFFFAOYSA-N
Compound name
N-(benzenesulfonyl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

311.0286 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.03588 168.3
[M+Na]+ 334.01782 176.5
[M-H]- 310.02132 174.7
[M+NH4]+ 329.06242 182.7
[M+K]+ 349.99176 170.7
[M+H-H2O]+ 294.02586 161.1
[M+HCOO]- 356.02680 181.6
[M+CH3COO]- 370.04245 199.3
[M+Na-2H]- 332.00327 173.9
[M]+ 311.02805 171.1
[M]- 311.02915 171.1
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