CID 76182

N-(4-chlorophenyl)-4-methylbenzenesulfonamide

Structural Information

Molecular Formula
C13H12ClNO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H12ClNO2S/c1-10-2-8-13(9-3-10)18(16,17)15-12-6-4-11(14)5-7-12/h2-9,15H,1H3
InChIKey
DOPAQNXFOIXWPI-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

144
Patents

281.02774 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.03502 158.9
[M+Na]+ 304.01696 168.6
[M-H]- 280.02046 166.4
[M+NH4]+ 299.06156 176.1
[M+K]+ 319.99090 162.5
[M+H-H2O]+ 264.02500 152.9
[M+HCOO]- 326.02594 174.2
[M+CH3COO]- 340.04159 196.5
[M+Na-2H]- 302.00241 163.8
[M]+ 281.02719 163.0
[M]- 281.02829 163.0
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