CID 112756764

2-fluoro-2-phenylethane-1-sulfonyl chloride

Structural Information

Molecular Formula

C₈H₈ClFO₂S

SMILES

C1=CC=C(C=C1)C(CS(=O)(=O)Cl)F

InChI

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

InChIKey

JRXJNCVIZJSXSE-UHFFFAOYSA-N

Compound name

2-fluoro-2-phenylethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 221.99176 Da
Monoisotopic Mass: 2.3
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]+	222.999036	139.4
[M+Na]+	244.980978	148.6
[M-H]-	220.984484	142.3
[M+NH4]+	240.025583	159.0
[M+K]+	260.954918	144.4
[M+H-H2O]+	204.989020	134.2
[M+HCOO]-	266.989961	151.7
[M+CH3COO]-	281.005611	182.2
[M+Na-2H]-	242.966426	143.4
[M]+	221.99121142	142.3
[M]-	221.99230858	142.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.