CID 2778860

141337-26-0

Structural Information

Molecular Formula

C₆H₃Cl₂FO₂S

SMILES

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

InChI

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

InChIKey

ZFZRENUEJCOCRE-UHFFFAOYSA-N

Compound name

4-chloro-2-fluorobenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 353
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	134.6
[M+Na]+	250.91070	146.8
[M-H]-	226.91420	137.9
[M+NH4]+	245.95530	155.0
[M+K]+	266.88464	141.4
[M+H-H2O]+	210.91874	131.0
[M+HCOO]-	272.91968	143.5
[M+CH3COO]-	286.93533	182.4
[M+Na-2H]-	248.89615	138.8
[M]+	227.92093	139.0
[M]-	227.92203	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe