CID 13922118

102153-61-7

Structural Information

Molecular Formula

C₁₀H₆Cl₂O₂S

SMILES

C1=CC2=C(C=CC(=C2)Cl)C(=C1)S(=O)(=O)Cl

InChI

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

InChIKey

ZHEYVXCFYIWQOM-UHFFFAOYSA-N

Compound name

6-chloronaphthalene-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 86
Patents: 259.94656 Da
Monoisotopic Mass: 3.8
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]+	260.953836	147.1
[M+Na]+	282.935778	159.3
[M-H]-	258.939284	152.3
[M+NH4]+	277.980383	167.3
[M+K]+	298.909718	153.2
[M+H-H2O]+	242.943820	143.9
[M+HCOO]-	304.944761	155.8
[M+CH3COO]-	318.960411	189.1
[M+Na-2H]-	280.921226	153.3
[M]+	259.94601142	153.3
[M]-	259.94710858	153.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe