CID 21901305

104296-63-1

Structural Information

Molecular Formula

C₁₂H₁₁ClO₂S

SMILES

C1=CC=C2C(=C1)C=CC=C2CCS(=O)(=O)Cl

InChI

InChI=1S/C12H11ClO2S/c13-16(14,15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2

InChIKey

IAZQBUVCHCLINF-UHFFFAOYSA-N

Compound name

2-naphthalen-1-ylethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 260
Patents: 254.01683 Da
Monoisotopic Mass: 4.0
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]+	255.02411	152.4
[M+Na]+	277.00605	167.2
[M+NH4]+	272.05065	162.2
[M+K]+	292.97999	157.1
[M-H]-	253.00955	155.1
[M+Na-2H]-	274.99150	159.9
[M]+	254.01628	156.3
[M]-	254.01738	156.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe