CID 50998022

1208075-25-5

Structural Information

Molecular Formula

C₆H₃Cl₂FO₂S

SMILES

C1=CC(=C(C(=C1)Cl)S(=O)(=O)Cl)F

InChI

InChI=1S/C6H3Cl2FO2S/c7-4-2-1-3-5(9)6(4)12(8,10)11/h1-3H

InChIKey

FJSIDPINTJZFNS-UHFFFAOYSA-N

Compound name

2-chloro-6-fluorobenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 227.92148 Da
Monoisotopic Mass: 2.7
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]+	228.92876	140.2
[M+Na]+	250.91070	153.6
[M+NH4]+	245.95530	148.6
[M+K]+	266.88464	145.4
[M-H]-	226.91420	140.1
[M+Na-2H]-	248.89615	146.2
[M]+	227.92093	143.1
[M]-	227.92203	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe