CID 17763203
4,4,4-trifluorobutane-1,2-diol
Structural Information
- Molecular Formula
- C4H7F3O2
- SMILES
- C(C(CO)O)C(F)(F)F
- InChI
- InChI=1S/C4H7F3O2/c5-4(6,7)1-3(9)2-8/h3,8-9H,1-2H2
- InChIKey
- PUJVEZNNSKLBOA-UHFFFAOYSA-N
- Compound name
- 4,4,4-trifluorobutane-1,2-diol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 145.04709 | 131.8 |
[M+Na]+ | 167.02903 | 137.9 |
[M+NH4]+ | 162.07363 | 136.4 |
[M+K]+ | 183.00297 | 135.0 |
[M-H]- | 143.03253 | 125.2 |
[M+Na-2H]- | 165.01448 | 132.3 |
[M]+ | 144.03926 | 130.2 |
[M]- | 144.04036 | 130.2 |
Literature stripe
No literature data available for this compound.