CID 726549

36942-41-3

Structural Information

Molecular Formula

C₁₆H₁₂ClNO₃S

SMILES

C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)Cl

InChI

InChI=1S/C16H12ClNO3S/c17-14-10-15(12-8-4-5-9-13(12)16(14)19)18-22(20,21)11-6-2-1-3-7-11/h1-10,18-19H

InChIKey

PEJWCKUKFDSRPJ-UHFFFAOYSA-N

Compound name

N-(3-chloro-4-hydroxynaphthalen-1-yl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 333.02264 Da
Monoisotopic Mass: 4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	334.029916	170.4
[M+Na]+	356.011858	180.4
[M-H]-	332.015364	177.3
[M+NH4]+	351.056463	185.7
[M+K]+	371.985798	173.4
[M+H-H2O]+	316.019900	164.4
[M+HCOO]-	378.020841	183.2
[M+CH3COO]-	392.036491	204.3
[M+Na-2H]-	353.997306	176.8
[M]+	333.02209142	174.6
[M]-	333.02318858	174.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe