CID 135742597
2268-14-6
Structural Information
- Molecular Formula
- C6H3F3N4O
- SMILES
- C1=NC2=C(N1)C(=O)NC(=N2)C(F)(F)F
- InChI
- InChI=1S/C6H3F3N4O/c7-6(8,9)5-12-3-2(4(14)13-5)10-1-11-3/h1H,(H2,10,11,12,13,14)
- InChIKey
- SLPBZJPJRTYAPU-UHFFFAOYSA-N
- Compound name
- 2-(trifluoromethyl)-1,7-dihydropurin-6-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 205.03318 | 136.6 |
[M+Na]+ | 227.01512 | 149.6 |
[M-H]- | 203.01862 | 130.7 |
[M+NH4]+ | 222.05972 | 152.1 |
[M+K]+ | 242.98906 | 144.1 |
[M+H-H2O]+ | 187.02316 | 127.1 |
[M+HCOO]- | 249.02410 | 151.4 |
[M+CH3COO]- | 263.03975 | 177.1 |
[M+Na-2H]- | 225.00057 | 144.2 |
[M]+ | 204.02535 | 132.4 |
[M]- | 204.02645 | 132.4 |