CID 310131

4-chloro-n-(1-naphthyl)benzenesulfonamide

Structural Information

Molecular Formula
C16H12ClNO2S
SMILES
C1=CC=C2C(=C1)C=CC=C2NS(=O)(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H12ClNO2S/c17-13-8-10-14(11-9-13)21(19,20)18-16-7-3-5-12-4-1-2-6-15(12)16/h1-11,18H
InChIKey
QUDIMOJJCXWWTJ-UHFFFAOYSA-N
Compound name
4-chloro-N-naphthalen-1-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

317.02774 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.03502 167.7
[M+Na]+ 340.01696 177.6
[M-H]- 316.02046 175.7
[M+NH4]+ 335.06156 184.2
[M+K]+ 355.99090 170.6
[M+H-H2O]+ 300.02500 161.3
[M+HCOO]- 362.02594 181.8
[M+CH3COO]- 376.04159 179.7
[M+Na-2H]- 338.00241 174.7
[M]+ 317.02719 171.9
[M]- 317.02829 171.9
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

No patent data available for this compound.