CID 155821971

2503207-05-2

Structural Information

Molecular Formula

C₆H₆FNO₃S

SMILES

COC1=C(C(=NC=C1)F)S(=O)O

InChI

InChI=1S/C6H6FNO3S/c1-11-4-2-3-8-6(7)5(4)12(9)10/h2-3H,1H3,(H,9,10)

InChIKey

CTVMSFNCQWFGMT-UHFFFAOYSA-N

Compound name

2-fluoro-4-methoxypyridine-3-sulfinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 191.00525 Da
Monoisotopic Mass: 0.5
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]+	192.012526	132.1
[M+Na]+	213.994468	142.0
[M-H]-	189.997974	132.7
[M+NH4]+	209.039073	150.5
[M+K]+	229.968408	139.7
[M+H-H2O]+	174.002510	125.4
[M+HCOO]-	236.003451	148.3
[M+CH3COO]-	250.019101	177.3
[M+Na-2H]-	211.979916	135.0
[M]+	191.00470142	134.3
[M]-	191.00579858	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.