CID 130850525

Methyl 5-fluoropyrimidine-4-carboxylate

Structural Information

Molecular Formula
C6H5FN2O2
SMILES
COC(=O)C1=NC=NC=C1F
InChI
InChI=1S/C6H5FN2O2/c1-11-6(10)5-4(7)2-8-3-9-5/h2-3H,1H3
InChIKey
LFWFFPMDPCNCNF-UHFFFAOYSA-N
Compound name
methyl 5-fluoropyrimidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.03351 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04079 129.0
[M+Na]+ 179.02273 141.1
[M+NH4]+ 174.06733 135.6
[M+K]+ 194.99667 136.3
[M-H]- 155.02623 127.7
[M+Na-2H]- 177.00818 135.1
[M]+ 156.03296 130.1
[M]- 156.03406 130.1
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.