CID 8811391
Ethyl 2-cyano-3-[(2,3,4-trifluorophenyl)amino]prop-2-enoate
Structural Information
- Molecular Formula
- C12H9F3N2O2
- SMILES
- CCOC(=O)/C(=C/NC1=C(C(=C(C=C1)F)F)F)/C#N
- InChI
- InChI=1S/C12H9F3N2O2/c1-2-19-12(18)7(5-16)6-17-9-4-3-8(13)10(14)11(9)15/h3-4,6,17H,2H2,1H3/b7-6+
- InChIKey
- JISHJNKMEZITCN-VOTSOKGWSA-N
- Compound name
- ethyl (E)-2-cyano-3-(2,3,4-trifluoroanilino)prop-2-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 271.06888 | 153.4 |
[M+Na]+ | 293.05082 | 163.0 |
[M-H]- | 269.05432 | 153.0 |
[M+NH4]+ | 288.09542 | 167.8 |
[M+K]+ | 309.02476 | 159.6 |
[M+H-H2O]+ | 253.05886 | 138.2 |
[M+HCOO]- | 315.05980 | 170.3 |
[M+CH3COO]- | 329.07545 | 211.1 |
[M+Na-2H]- | 291.03627 | 153.9 |
[M]+ | 270.06105 | 146.1 |
[M]- | 270.06215 | 146.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.