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
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 |
Literature stripe
No literature data available for this compound.