CID 15938554
Butyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate
Structural Information
- Molecular Formula
- C13H9F17O4
- SMILES
- CCCCOC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F
- InChI
- InChI=1S/C13H9F17O4/c1-2-3-4-32-5(31)6(14,9(18,19)20)33-13(29,30)8(17,11(24,25)26)34-12(27,28)7(15,16)10(21,22)23/h2-4H2,1H3
- InChIKey
- KFLCAJIXLFSISY-UHFFFAOYSA-N
- Compound name
- butyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 553.03023 | 176.2 |
[M+Na]+ | 575.01217 | 181.3 |
[M-H]- | 551.01567 | 184.6 |
[M+NH4]+ | 570.05677 | 188.2 |
[M+K]+ | 590.98611 | 189.7 |
[M+H-H2O]+ | 535.02021 | 166.6 |
[M+HCOO]- | 597.02115 | 194.9 |
[M+CH3COO]- | 611.03680 | 242.9 |
[M+Na-2H]- | 572.99762 | 174.6 |
[M]+ | 552.02240 | 175.3 |
[M]- | 552.02350 | 175.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.