CID 706829

53715-52-9

Structural Information

Molecular Formula

C₁₁H₁₁NO₂S

SMILES

CS(=O)(=O)NC1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C11H11NO2S/c1-15(13,14)12-11-8-4-6-9-5-2-3-7-10(9)11/h2-8,12H,1H3

InChIKey

FSFJVGSCNHVIEZ-UHFFFAOYSA-N

Compound name

N-naphthalen-1-ylmethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 154
Patents: 221.05106 Da
Monoisotopic Mass: 1.4
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]+	222.05834	143.9
[M+Na]+	244.04028	152.9
[M-H]-	220.04378	148.8
[M+NH4]+	239.08488	163.7
[M+K]+	260.01422	149.0
[M+H-H2O]+	204.04832	138.1
[M+HCOO]-	266.04926	162.7
[M+CH3COO]-	280.06491	187.4
[M+Na-2H]-	242.02573	151.9
[M]+	221.05051	146.2
[M]-	221.05161	146.2

Literature stripe

literature stripe

Patent stripe

patents stripe