CID 3521949
1,1-bis(pentafluorophenyl)-1-ethanol
Structural Information
- Molecular Formula
- C14H4F10O
- SMILES
- CC(C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)F)F)O
- InChI
- InChI=1S/C14H4F10O/c1-14(25,2-4(15)8(19)12(23)9(20)5(2)16)3-6(17)10(21)13(24)11(22)7(3)18/h25H,1H3
- InChIKey
- KGUUGWKHBRPWIW-UHFFFAOYSA-N
- Compound name
- 1,1-bis(2,3,4,5,6-pentafluorophenyl)ethanol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 379.01753 | 173.6 |
[M+Na]+ | 400.99947 | 189.5 |
[M-H]- | 377.00297 | 169.1 |
[M+NH4]+ | 396.04407 | 186.3 |
[M+K]+ | 416.97341 | 181.8 |
[M+H-H2O]+ | 361.00751 | 159.5 |
[M+HCOO]- | 423.00845 | 183.7 |
[M+CH3COO]- | 437.02410 | 222.2 |
[M+Na-2H]- | 398.98492 | 168.6 |
[M]+ | 378.00970 | 163.3 |
[M]- | 378.01080 | 163.3 |