CID 310131

56799-95-2

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 168.4
[M+Na]+ 340.01696 184.4
[M+NH4]+ 335.06156 178.1
[M+K]+ 355.99090 173.5
[M-H]- 316.02046 174.1
[M+Na-2H]- 338.00241 178.6
[M]+ 317.02719 173.3
[M]- 317.02829 173.3
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.