CID 253804

4-chloronaphthalene-1-sulfonyl chloride

Structural Information

Molecular Formula

C₁₀H₆Cl₂O₂S

SMILES

C1=CC=C2C(=C1)C(=CC=C2Cl)S(=O)(=O)Cl

InChI

InChI=1S/C10H6Cl2O2S/c11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9/h1-6H

InChIKey

IWWVSFPGXLWBPN-UHFFFAOYSA-N

Compound name

4-chloronaphthalene-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 259.94656 Da
Monoisotopic Mass: 4.1
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]+	260.95384	151.2
[M+Na]+	282.93578	167.2
[M+NH4]+	277.98038	161.2
[M+K]+	298.90972	157.0
[M-H]-	258.93928	153.8
[M+Na-2H]-	280.92123	158.7
[M]+	259.94601	155.5
[M]-	259.94711	155.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe