CID 58493725

6-fluoro-2-methyl-3-(methylsulfonyl)pyridine

Structural Information

Molecular Formula

C₇H₈FNO₂S

SMILES

CC1=C(C=CC(=N1)F)S(=O)(=O)C

InChI

InChI=1S/C7H8FNO2S/c1-5-6(12(2,10)11)3-4-7(8)9-5/h3-4H,1-2H3

InChIKey

IPAGEVKSCYHZQF-UHFFFAOYSA-N

Compound name

6-fluoro-2-methyl-3-methylsulfonylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 189.02597 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]+	190.03325	138.7
[M+Na]+	212.01519	150.6
[M+NH4]+	207.05979	145.9
[M+K]+	227.98913	143.6
[M-H]-	188.01869	137.9
[M+Na-2H]-	210.00064	143.8
[M]+	189.02542	140.5
[M]-	189.02652	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe