CID 45050980
Methyl 2-cyano-3-(3-fluoro-4-pyridinyl)-2-propenoate
Structural Information
- Molecular Formula
- C10H7FN2O2
- SMILES
- COC(=O)/C(=C/C1=C(C=NC=C1)F)/C#N
- InChI
- InChI=1S/C10H7FN2O2/c1-15-10(14)8(5-12)4-7-2-3-13-6-9(7)11/h2-4,6H,1H3/b8-4+
- InChIKey
- DLMSOYGLBVLYQH-XBXARRHUSA-N
- Compound name
- methyl (E)-2-cyano-3-(3-fluoropyridin-4-yl)prop-2-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 207.05643 | 145.5 |
[M+Na]+ | 229.03837 | 156.3 |
[M+NH4]+ | 224.08297 | 148.2 |
[M+K]+ | 245.01231 | 147.8 |
[M-H]- | 205.04187 | 137.0 |
[M+Na-2H]- | 227.02382 | 147.7 |
[M]+ | 206.04860 | 143.5 |
[M]- | 206.04970 | 143.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.