CID 16774633

Naphthalen-1-ylmethanesulfonyl chloride

Structural Information

Molecular Formula

C₁₁H₉ClO₂S

SMILES

C1=CC=C2C(=C1)C=CC=C2CS(=O)(=O)Cl

InChI

InChI=1S/C11H9ClO2S/c12-15(13,14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2

InChIKey

FPAIRDIPBPUKSD-UHFFFAOYSA-N

Compound name

naphthalen-1-ylmethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 240.00117 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]+	241.00845	148.0
[M+Na]+	262.99039	163.0
[M+NH4]+	258.03499	157.9
[M+K]+	278.96433	153.1
[M-H]-	238.99389	150.7
[M+Na-2H]-	260.97584	155.7
[M]+	240.00062	151.9
[M]-	240.00172	151.9

Literature stripe

literature stripe

Patent stripe

patents stripe