CID 2759096

728919-67-3

Structural Information

Molecular Formula

C₈H₈ClFO₂S

SMILES

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

InChI

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

InChIKey

XKGTZBGUSUFCHC-UHFFFAOYSA-N

Compound name

2-(2-fluorophenyl)ethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
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]+	222.999036	139.2
[M+Na]+	244.980978	149.6
[M-H]-	220.984484	142.3
[M+NH4]+	240.025583	159.2
[M+K]+	260.954918	144.9
[M+H-H2O]+	204.989020	134.1
[M+HCOO]-	266.989961	152.5
[M+CH3COO]-	281.005611	182.5
[M+Na-2H]-	242.966426	143.6
[M]+	221.99121142	143.0
[M]-	221.99230858	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe