CID 21293389
Ns00111523
Structural Information
- Molecular Formula
- C10H15F7O2
- SMILES
- CC(C)(C)C(CC(C(C(C(F)(F)F)(F)F)(F)F)O)O
- InChI
- InChI=1S/C10H15F7O2/c1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17/h5-6,18-19H,4H2,1-3H3
- InChIKey
- CEUYTDVKBAPCPW-UHFFFAOYSA-N
- Compound name
- 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-diol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 301.10332 | 158.6 |
[M+Na]+ | 323.08526 | 164.9 |
[M-H]- | 299.08876 | 147.5 |
[M+NH4]+ | 318.12986 | 172.2 |
[M+K]+ | 339.05920 | 162.9 |
[M+H-H2O]+ | 283.09330 | 149.9 |
[M+HCOO]- | 345.09424 | 163.1 |
[M+CH3COO]- | 359.10989 | 200.1 |
[M+Na-2H]- | 321.07071 | 160.0 |
[M]+ | 300.09549 | 147.3 |
[M]- | 300.09659 | 147.3 |
Literature stripe
No literature data available for this compound.