CID 15938555
Benzyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate
Structural Information
- Molecular Formula
- C16H7F17O4
- SMILES
- C1=CC=C(C=C1)COC(=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/C16H7F17O4/c17-9(12(21,22)23,8(34)35-6-7-4-2-1-3-5-7)36-16(32,33)11(20,14(27,28)29)37-15(30,31)10(18,19)13(24,25)26/h1-5H,6H2
- InChIKey
- DWLOORGSOPGRDQ-UHFFFAOYSA-N
- Compound name
- benzyl 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]+ | 587.01454 | 169.5 |
[M+Na]+ | 608.99648 | 176.6 |
[M-H]- | 584.99998 | 178.1 |
[M+NH4]+ | 604.04108 | 181.9 |
[M+K]+ | 624.97042 | 182.5 |
[M+H-H2O]+ | 569.00452 | 161.4 |
[M+HCOO]- | 631.00546 | 192.3 |
[M+CH3COO]- | 645.02111 | 246.6 |
[M+Na-2H]- | 606.98193 | 169.0 |
[M]+ | 586.00671 | 168.9 |
[M]- | 586.00781 | 168.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.