CID 2774013

4,5-dichloro-2-fluorobenzenesulphonyl chloride

Structural Information

Molecular Formula

C₆H₂Cl₃FO₂S

SMILES

C1=C(C(=CC(=C1Cl)Cl)S(=O)(=O)Cl)F

InChI

InChI=1S/C6H2Cl3FO2S/c7-3-1-5(10)6(2-4(3)8)13(9,11)12/h1-2H

InChIKey

ASIHENVNFXQLOH-UHFFFAOYSA-N

Compound name

4,5-dichloro-2-fluorobenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 261.8825 Da
Monoisotopic Mass: 3.3
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]+	262.889776	139.9
[M+Na]+	284.871718	152.5
[M-H]-	260.875224	142.5
[M+NH4]+	279.916323	159.0
[M+K]+	300.845658	146.5
[M+H-H2O]+	244.879760	137.3
[M+HCOO]-	306.880701	143.5
[M+CH3COO]-	320.896351	189.1
[M+Na-2H]-	282.857166	142.5
[M]+	261.88195142	144.5
[M]-	261.88304858	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe