CID 91812170

5-fluoro-6-methoxypyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C6H5FN2O3
SMILES
COC1=NC=NC(=C1F)C(=O)O
InChI
InChI=1S/C6H5FN2O3/c1-12-5-3(7)4(6(10)11)8-2-9-5/h2H,1H3,(H,10,11)
InChIKey
TZVXLXQBWRZBHT-UHFFFAOYSA-N
Compound name
5-fluoro-6-methoxypyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

172.02843 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.03571 132.4
[M+Na]+ 195.01765 143.9
[M+NH4]+ 190.06225 138.1
[M+K]+ 210.99159 140.1
[M-H]- 171.02115 130.2
[M+Na-2H]- 193.00310 137.2
[M]+ 172.02788 133.0
[M]- 172.02898 133.0
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

patents stripe