CID 5177055

3,4-dichloro-n-(1-naphthyl)benzenesulfonamide

Structural Information

Molecular Formula
C16H11Cl2NO2S
SMILES
C1=CC=C2C(=C1)C=CC=C2NS(=O)(=O)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H11Cl2NO2S/c17-14-9-8-12(10-15(14)18)22(20,21)19-16-7-3-5-11-4-1-2-6-13(11)16/h1-10,19H
InChIKey
HYCURGRMACLMFH-UHFFFAOYSA-N
Compound name
3,4-dichloro-N-naphthalen-1-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.98877 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.99605 173.6
[M+Na]+ 373.97799 184.6
[M-H]- 349.98149 181.3
[M+NH4]+ 369.02259 189.6
[M+K]+ 389.95193 176.9
[M+H-H2O]+ 333.98603 168.2
[M+HCOO]- 395.98697 182.7
[M+CH3COO]- 410.00262 185.2
[M+Na-2H]- 371.96344 179.3
[M]+ 350.98822 179.6
[M]- 350.98932 179.6
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

No patent data available for this compound.