CID 59062
101858-31-5
Structural Information
- Molecular Formula
- C9H10F6O3
- SMILES
- CC(=O)CCC(=O)CC(C(F)(F)F)(C(F)(F)F)O
- InChI
- InChI=1S/C9H10F6O3/c1-5(16)2-3-6(17)4-7(18,8(10,11)12)9(13,14)15/h18H,2-4H2,1H3
- InChIKey
- YAQPNPYBHOXZOJ-UHFFFAOYSA-N
- Compound name
- 8,8,8-trifluoro-7-hydroxy-7-(trifluoromethyl)octane-2,5-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 281.06068 | 152.3 |
[M+Na]+ | 303.04262 | 159.6 |
[M-H]- | 279.04612 | 143.6 |
[M+NH4]+ | 298.08722 | 167.2 |
[M+K]+ | 319.01656 | 157.7 |
[M+H-H2O]+ | 263.05066 | 143.7 |
[M+HCOO]- | 325.05160 | 161.8 |
[M+CH3COO]- | 339.06725 | 196.1 |
[M+Na-2H]- | 301.02807 | 154.3 |
[M]+ | 280.05285 | 144.7 |
[M]- | 280.05395 | 144.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.