CID 11761506
Dtxsid60895373
Structural Information
- Molecular Formula
- C13H13F13
- SMILES
- CCCCC/C=C/C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
- InChI
- InChI=1S/C13H13F13/c1-2-3-4-5-6-7-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h6-7H,2-5H2,1H3/b7-6+
- InChIKey
- CYIMORLVMXKPBZ-VOTSOKGWSA-N
- Compound name
- (E)-8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-6-ene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 417.08824 | 185.8 |
[M+Na]+ | 439.07018 | 193.7 |
[M-H]- | 415.07368 | 171.2 |
[M+NH4]+ | 434.11478 | 170.4 |
[M+K]+ | 455.04412 | 188.9 |
[M+H-H2O]+ | 399.07822 | 171.8 |
[M+HCOO]- | 461.07916 | 185.2 |
[M+CH3COO]- | 475.09481 | 225.9 |
[M+Na-2H]- | 437.05563 | 186.7 |
[M]+ | 416.08041 | 166.9 |
[M]- | 416.08151 | 166.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.