CID 53299269

Methyl 5-fluoropyrimidine-2-carboxylate

Structural Information

Molecular Formula
C6H5FN2O2
SMILES
COC(=O)C1=NC=C(C=N1)F
InChI
InChI=1S/C6H5FN2O2/c1-11-6(10)5-8-2-4(7)3-9-5/h2-3H,1H3
InChIKey
BAWZGVWTHJYDFE-UHFFFAOYSA-N
Compound name
methyl 5-fluoropyrimidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

156.03351 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04079 126.5
[M+Na]+ 179.02273 136.3
[M-H]- 155.02623 126.7
[M+NH4]+ 174.06733 145.0
[M+K]+ 194.99667 135.4
[M+H-H2O]+ 139.03077 118.7
[M+HCOO]- 201.03171 148.1
[M+CH3COO]- 215.04736 174.8
[M+Na-2H]- 177.00818 134.0
[M]+ 156.03296 127.1
[M]- 156.03406 127.1
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

patents stripe