CID 520741
1,1,1,2,3,4,4,4-octafluoro-2,3-bis(trifluoromethyl)butane
Structural Information
- Molecular Formula
- C6F14
- SMILES
- C(C(C(F)(F)F)(C(F)(F)F)F)(C(F)(F)F)(C(F)(F)F)F
- InChI
- InChI=1S/C6F14/c7-1(3(9,10)11,4(12,13)14)2(8,5(15,16)17)6(18,19)20
- InChIKey
- NBQYGIPVNCVJJP-UHFFFAOYSA-N
- Compound name
- 1,1,1,2,3,4,4,4-octafluoro-2,3-bis(trifluoromethyl)butane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 338.98491 | 159.7 |
[M+Na]+ | 360.96685 | 170.0 |
[M-H]- | 336.97035 | 145.2 |
[M+NH4]+ | 356.01145 | 172.2 |
[M+K]+ | 376.94079 | 167.0 |
[M+H-H2O]+ | 320.97489 | 146.1 |
[M+HCOO]- | 382.97583 | 159.5 |
[M+CH3COO]- | 396.99148 | 209.6 |
[M+Na-2H]- | 358.95230 | 163.1 |
[M]+ | 337.97708 | 137.3 |
[M]- | 337.97818 | 137.3 |