CID 137949460

2172509-00-9

Structural Information

Molecular Formula

C₈H₈F₂O₂S

SMILES

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

InChI

InChI=1S/C8H8F2O2S/c1-6(13(10,11)12)7-2-4-8(9)5-3-7/h2-6H,1H3

InChIKey

OETZFKJXYBEOPN-UHFFFAOYSA-N

Compound name

1-(4-fluorophenyl)ethanesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 206.0213 Da
Monoisotopic Mass: 2.1
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]+	207.02858	135.9
[M+Na]+	229.01052	145.3
[M-H]-	205.01402	137.6
[M+NH4]+	224.05512	155.5
[M+K]+	244.98446	142.5
[M+H-H2O]+	189.01856	129.0
[M+HCOO]-	251.01950	151.6
[M+CH3COO]-	265.03515	182.3
[M+Na-2H]-	226.99597	139.0
[M]+	206.02075	136.1
[M]-	206.02185	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.