CID 86065731
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotricosane
Structural Information
- Molecular Formula
- C23H35F13
- SMILES
- CCCCCCCCCCCCCCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
- InChI
- InChI=1S/C23H35F13/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(24,25)19(26,27)20(28,29)21(30,31)22(32,33)23(34,35)36/h2-17H2,1H3
- InChIKey
- SUWPKSRVVDLYGW-UHFFFAOYSA-N
- Compound name
- 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotricosane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 559.26038 | 203.8 |
[M+Na]+ | 581.24232 | 208.8 |
[M-H]- | 557.24582 | 200.3 |
[M+NH4]+ | 576.28692 | 208.8 |
[M+K]+ | 597.21626 | 217.6 |
[M+H-H2O]+ | 541.25036 | 194.2 |
[M+HCOO]- | 603.25130 | 220.0 |
[M+CH3COO]- | 617.26695 | 254.0 |
[M+Na-2H]- | 579.22777 | 196.3 |
[M]+ | 558.25255 | 202.0 |
[M]- | 558.25365 | 202.0 |
Literature stripe
No literature data available for this compound.