CID 129011233
Methyl 5-fluoro-6-(trifluoromethyl)nicotinate
Structural Information
- Molecular Formula
- C8H5F4NO2
- SMILES
- COC(=O)C1=CC(=C(N=C1)C(F)(F)F)F
- InChI
- InChI=1S/C8H5F4NO2/c1-15-7(14)4-2-5(9)6(13-3-4)8(10,11)12/h2-3H,1H3
- InChIKey
- XVMWJNLIVAVWME-UHFFFAOYSA-N
- Compound name
- methyl 5-fluoro-6-(trifluoromethyl)pyridine-3-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 224.03291 | 139.2 |
[M+Na]+ | 246.01485 | 149.7 |
[M-H]- | 222.01835 | 137.1 |
[M+NH4]+ | 241.05945 | 156.5 |
[M+K]+ | 261.98879 | 147.5 |
[M+H-H2O]+ | 206.02289 | 129.9 |
[M+HCOO]- | 268.02383 | 156.6 |
[M+CH3COO]- | 282.03948 | 187.4 |
[M+Na-2H]- | 244.00030 | 143.8 |
[M]+ | 223.02508 | 136.1 |
[M]- | 223.02618 | 136.1 |
Literature stripe
No literature data available for this compound.