CID 294518

N-(5-chloro-2-methyl-4-nitrophenyl)benzenesulfonamide

Structural Information

Molecular Formula
C13H11ClN2O4S
SMILES
CC1=CC(=C(C=C1NS(=O)(=O)C2=CC=CC=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C13H11ClN2O4S/c1-9-7-13(16(17)18)11(14)8-12(9)15-21(19,20)10-5-3-2-4-6-10/h2-8,15H,1H3
InChIKey
ZCWHGYXVBWBFEP-UHFFFAOYSA-N
Compound name
N-(5-chloro-2-methyl-4-nitrophenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

326.01282 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.02010 166.4
[M+Na]+ 349.00204 180.5
[M+NH4]+ 344.04664 173.9
[M+K]+ 364.97598 174.8
[M-H]- 325.00554 171.2
[M+Na-2H]- 346.98749 174.4
[M]+ 326.01227 170.4
[M]- 326.01337 170.4
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