CID 124148927

1859600-17-1

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C6H4ClFOS/c7-10(9)6-3-1-2-5(8)4-6/h1-4H

InChIKey

UKKVTWZJRLQGEA-UHFFFAOYSA-N

Compound name

3-fluorobenzenesulfinyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 177.96555 Da
Monoisotopic Mass: 2.2
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]+	178.97283	125.8
[M+Na]+	200.95477	136.3
[M-H]-	176.95827	129.1
[M+NH4]+	195.99937	147.6
[M+K]+	216.92871	132.3
[M+H-H2O]+	160.96281	121.0
[M+HCOO]-	222.96375	139.9
[M+CH3COO]-	236.97940	175.9
[M+Na-2H]-	198.94022	129.5
[M]+	177.96500	128.2
[M]-	177.96610	128.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe