CID 19738427

Methyl 2,6-difluoropyrimidine-4-carboxylate

Structural Information

Molecular Formula
C6H4F2N2O2
SMILES
COC(=O)C1=CC(=NC(=N1)F)F
InChI
InChI=1S/C6H4F2N2O2/c1-12-5(11)3-2-4(7)10-6(8)9-3/h2H,1H3
InChIKey
YSEQKGHEMQCJCC-UHFFFAOYSA-N
Compound name
methyl 2,6-difluoropyrimidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

174.02408 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.03136 128.7
[M+Na]+ 197.01330 139.5
[M-H]- 173.01680 127.9
[M+NH4]+ 192.05790 146.6
[M+K]+ 212.98724 138.0
[M+H-H2O]+ 157.02134 120.2
[M+HCOO]- 219.02228 149.2
[M+CH3COO]- 233.03793 178.7
[M+Na-2H]- 194.99875 134.9
[M]+ 174.02353 128.5
[M]- 174.02463 128.5
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