CID 24972052
5,6,6,6-tetrafluoro-4-oxo-5-(trifluoromethyl)hexanoic acid
Structural Information
- Molecular Formula
- C7H5F7O3
- SMILES
- C(CC(=O)O)C(=O)C(C(F)(F)F)(C(F)(F)F)F
- InChI
- InChI=1S/C7H5F7O3/c8-5(6(9,10)11,7(12,13)14)3(15)1-2-4(16)17/h1-2H2,(H,16,17)
- InChIKey
- FOZCIODRBSSQFH-UHFFFAOYSA-N
- Compound name
- 5,6,6,6-tetrafluoro-4-oxo-5-(trifluoromethyl)hexanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 271.01998 | 145.7 |
[M+Na]+ | 293.00192 | 153.9 |
[M-H]- | 269.00542 | 136.2 |
[M+NH4]+ | 288.04652 | 160.9 |
[M+K]+ | 308.97586 | 152.1 |
[M+H-H2O]+ | 253.00996 | 136.6 |
[M+HCOO]- | 315.01090 | 154.8 |
[M+CH3COO]- | 329.02655 | 193.2 |
[M+Na-2H]- | 290.98737 | 148.2 |
[M]+ | 270.01215 | 136.0 |
[M]- | 270.01325 | 136.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.