CID 2759097

2-(3-fluorophenyl)ethanesulfonyl chloride

Structural Information

Molecular Formula

C₈H₈ClFO₂S

SMILES

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

InChI

InChI=1S/C8H8ClFO2S/c9-13(11,12)5-4-7-2-1-3-8(10)6-7/h1-3,6H,4-5H2

InChIKey

KULUITPKYGNZQE-UHFFFAOYSA-N

Compound name

2-(3-fluorophenyl)ethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 221.99176 Da
Monoisotopic Mass: 2.4
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]+	222.99904	143.2
[M+Na]+	244.98098	155.5
[M+NH4]+	240.02558	151.3
[M+K]+	260.95492	147.2
[M-H]-	220.98448	143.1
[M+Na-2H]-	242.96643	148.9
[M]+	221.99121	145.6
[M]-	221.99231	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe