CID 87147097
1132677-78-1
Structural Information
- Molecular Formula
- C13H8F18O3
- SMILES
- C(COC(=O)OCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
- InChI
- InChI=1S/C13H8F18O3/c14-6(15,8(18,19)10(22,23)12(26,27)28)1-3-33-5(32)34-4-2-7(16,17)9(20,21)11(24,25)13(29,30)31/h1-4H2
- InChIKey
- UBGPASCOGXQXLD-UHFFFAOYSA-N
- Compound name
- bis(3,3,4,4,5,5,6,6,6-nonafluorohexyl) carbonate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 555.02588 | 176.1 |
[M+Na]+ | 577.00782 | 181.5 |
[M-H]- | 553.01132 | 183.7 |
[M+NH4]+ | 572.05242 | 187.4 |
[M+K]+ | 592.98176 | 190.2 |
[M+H-H2O]+ | 537.01586 | 166.5 |
[M+HCOO]- | 599.01680 | 194.6 |
[M+CH3COO]- | 613.03245 | 243.7 |
[M+Na-2H]- | 574.99327 | 174.9 |
[M]+ | 554.01805 | 174.2 |
[M]- | 554.01915 | 174.2 |
Literature stripe
No literature data available for this compound.