CID 119097977

Fluoromethyl 2-pyridyl sulfone

Structural Information

Molecular Formula

C₆H₆FNO₂S

SMILES

C1=CC=NC(=C1)S(=O)(=O)CF

InChI

InChI=1S/C6H6FNO2S/c7-5-11(9,10)6-3-1-2-4-8-6/h1-4H,5H2

InChIKey

KCKYDPXAKVBJHE-UHFFFAOYSA-N

Compound name

2-(fluoromethylsulfonyl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 175.01033 Da
Monoisotopic Mass: 0.9
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]+	176.017606	130.0
[M+Na]+	197.999548	139.9
[M-H]-	174.003054	131.6
[M+NH4]+	193.044153	149.4
[M+K]+	213.973488	137.3
[M+H-H2O]+	158.007590	123.4
[M+HCOO]-	220.008531	147.3
[M+CH3COO]-	234.024181	174.1
[M+Na-2H]-	195.984996	136.4
[M]+	175.00978142	131.3
[M]-	175.01087858	131.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe