CID 50998071

1131397-79-9

Structural Information

Molecular Formula

C₆H₂Cl₃FO₂S

SMILES

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

InChI

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

InChIKey

DVAHBTCBQASAHZ-UHFFFAOYSA-N

Compound name

3,5-dichloro-4-fluorobenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
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]+	262.88978	139.9
[M+Na]+	284.87172	152.5
[M-H]-	260.87522	142.5
[M+NH4]+	279.91632	159.0
[M+K]+	300.84566	146.5
[M+H-H2O]+	244.87976	137.3
[M+HCOO]-	306.88070	143.5
[M+CH3COO]-	320.89635	189.1
[M+Na-2H]-	282.85717	142.5
[M]+	261.88195	144.5
[M]-	261.88305	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe