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

13
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 167.5
[M+Na]+ 334.01782 178.7
[M+NH4]+ 329.06242 174.3
[M+K]+ 349.99176 170.1
[M-H]- 310.02132 169.9
[M+Na-2H]- 332.00327 174.9
[M]+ 311.02805 170.7
[M]- 311.02915 170.7
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

patents stripe