CID 68902313
3-(piperazin-1-yl)-5-(trifluoromethyl)benzonitrile
Structural Information
- Molecular Formula
- C12H12F3N3
- SMILES
- C1CN(CCN1)C2=CC(=CC(=C2)C(F)(F)F)C#N
- InChI
- InChI=1S/C12H12F3N3/c13-12(14,15)10-5-9(8-16)6-11(7-10)18-3-1-17-2-4-18/h5-7,17H,1-4H2
- InChIKey
- PZZGPOQZUUDIAA-UHFFFAOYSA-N
- Compound name
- 3-piperazin-1-yl-5-(trifluoromethyl)benzonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 256.10561 | 152.1 |
[M+Na]+ | 278.08755 | 160.1 |
[M-H]- | 254.09105 | 149.2 |
[M+NH4]+ | 273.13215 | 163.6 |
[M+K]+ | 294.06149 | 154.3 |
[M+H-H2O]+ | 238.09559 | 135.1 |
[M+HCOO]- | 300.09653 | 161.2 |
[M+CH3COO]- | 314.11218 | 202.3 |
[M+Na-2H]- | 276.07300 | 154.9 |
[M]+ | 255.09778 | 137.6 |
[M]- | 255.09888 | 137.6 |
Literature stripe
No literature data available for this compound.