CID 66560

1-naphthalenesulfonyl chloride

Structural Information

Molecular Formula

C₁₀H₇ClO₂S

SMILES

C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)Cl

InChI

InChI=1S/C10H7ClO2S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H

InChIKey

DASJFYAPNPUBGG-UHFFFAOYSA-N

Compound name

naphthalene-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 5888
Patents: 225.98553 Da
Monoisotopic Mass: 3.2
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]+	226.99281	143.5
[M+Na]+	248.97475	158.7
[M+NH4]+	244.01935	153.6
[M+K]+	264.94869	149.1
[M-H]-	224.97825	146.3
[M+Na-2H]-	246.96020	151.5
[M]+	225.98498	147.5
[M]-	225.98608	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe