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 129.7
[M+Na]+ 195.01765 139.8
[M-H]- 171.02115 128.8
[M+NH4]+ 190.06225 146.9
[M+K]+ 210.99159 138.4
[M+H-H2O]+ 155.02569 122.2
[M+HCOO]- 217.02663 149.9
[M+CH3COO]- 231.04228 176.1
[M+Na-2H]- 193.00310 135.9
[M]+ 172.02788 130.3
[M]- 172.02898 130.3
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

patents stripe