CID 118971334

Methyl5-fluoro-4-methoxypyrimidine-2-carboxylate

Structural Information

Molecular Formula
C7H7FN2O3
SMILES
COC1=NC(=NC=C1F)C(=O)OC
InChI
InChI=1S/C7H7FN2O3/c1-12-6-4(8)3-9-5(10-6)7(11)13-2/h3H,1-2H3
InChIKey
OOOBPYJIFKWHFN-UHFFFAOYSA-N
Compound name
methyl 5-fluoro-4-methoxypyrimidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

186.04407 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05135 133.7
[M+Na]+ 209.03329 143.9
[M-H]- 185.03679 134.1
[M+NH4]+ 204.07789 151.2
[M+K]+ 225.00723 143.2
[M+H-H2O]+ 169.04133 125.7
[M+HCOO]- 231.04227 155.2
[M+CH3COO]- 245.05792 181.1
[M+Na-2H]- 207.01874 139.9
[M]+ 186.04352 136.5
[M]- 186.04462 136.5
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