CID 137963765

2228365-75-9

Structural Information

Molecular Formula

C₆H₆FNO₂S

SMILES

CC1=CC(=CN=C1F)S(=O)O

InChI

InChI=1S/C6H6FNO2S/c1-4-2-5(11(9)10)3-8-6(4)7/h2-3H,1H3,(H,9,10)

InChIKey

OKPAMQRIGRGPIS-UHFFFAOYSA-N

Compound name

6-fluoro-5-methylpyridine-3-sulfinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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	128.8
[M+Na]+	197.999548	138.9
[M-H]-	174.003054	129.5
[M+NH4]+	193.044153	147.9
[M+K]+	213.973488	136.1
[M+H-H2O]+	158.007590	122.4
[M+HCOO]-	220.008531	144.8
[M+CH3COO]-	234.024181	175.2
[M+Na-2H]-	195.984996	131.6
[M]+	175.00978142	129.6
[M]-	175.01087858	129.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.