CID 54686843
Manitimus
Structural Information
- Molecular Formula
- C15H11F3N2O2
- SMILES
- C#CCC/C(=C(\C#N)/C(=O)NC1=CC=C(C=C1)C(F)(F)F)/O
- InChI
- InChI=1S/C15H11F3N2O2/c1-2-3-4-13(21)12(9-19)14(22)20-11-7-5-10(6-8-11)15(16,17)18/h1,5-8,21H,3-4H2,(H,20,22)/b13-12-
- InChIKey
- IRELROQHIPLASX-SEYXRHQNSA-N
- Compound name
- (Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]hept-2-en-6-ynamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 309.08455 | 176.8 |
[M+Na]+ | 331.06649 | 184.2 |
[M-H]- | 307.06999 | 175.2 |
[M+NH4]+ | 326.11109 | 185.1 |
[M+K]+ | 347.04043 | 179.8 |
[M+H-H2O]+ | 291.07453 | 160.0 |
[M+HCOO]- | 353.07547 | 182.4 |
[M+CH3COO]- | 367.09112 | 225.7 |
[M+Na-2H]- | 329.05194 | 173.9 |
[M]+ | 308.07672 | 164.1 |
[M]- | 308.07782 | 164.1 |