CID 3051831
Lj 1160
Structural Information
- Molecular Formula
- C17H21F3N2O
- SMILES
- C1CC(C(=O)C1)CN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F
- InChI
- InChI=1S/C17H21F3N2O/c18-17(19,20)14-4-2-5-15(11-14)22-9-7-21(8-10-22)12-13-3-1-6-16(13)23/h2,4-5,11,13H,1,3,6-10,12H2
- InChIKey
- YTDNMQHMTAYWDM-UHFFFAOYSA-N
- Compound name
- 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]cyclopentan-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 327.16786 | 177.0 |
[M+Na]+ | 349.14980 | 182.0 |
[M-H]- | 325.15330 | 178.9 |
[M+NH4]+ | 344.19440 | 189.5 |
[M+K]+ | 365.12374 | 176.5 |
[M+H-H2O]+ | 309.15784 | 164.9 |
[M+HCOO]- | 371.15878 | 188.1 |
[M+CH3COO]- | 385.17443 | 206.3 |
[M+Na-2H]- | 347.13525 | 174.6 |
[M]+ | 326.16003 | 167.1 |
[M]- | 326.16113 | 167.1 |
Literature stripe
No literature data available for this compound.