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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.01253 132.1
[M+Na]+ 213.99447 142.0
[M-H]- 189.99797 132.7
[M+NH4]+ 209.03907 150.5
[M+K]+ 229.96841 139.7
[M+H-H2O]+ 174.00251 125.4
[M+HCOO]- 236.00345 148.3
[M+CH3COO]- 250.01910 177.3
[M+Na-2H]- 211.97992 135.0
[M]+ 191.00470 134.3
[M]- 191.00580 134.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.