CID 139594533
Clpflcas_i n=13
Structural Information
- Molecular Formula
- C14HClF26O2
- SMILES
- C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
- InChI
- InChI=1S/C14HClF26O2/c15-14(40,41)13(38,39)12(36,37)11(34,35)10(32,33)9(30,31)8(28,29)7(26,27)6(24,25)5(22,23)4(20,21)3(18,19)2(16,17)1(42)43/h(H,42,43)
- InChIKey
- CHLPJPFPFIAASS-UHFFFAOYSA-N
- Compound name
- 14-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14-hexacosafluorotetradecanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 730.93228 | 196.2 |
[M+Na]+ | 752.91422 | 199.2 |
[M-H]- | 728.91772 | 209.2 |
[M+NH4]+ | 747.95882 | 208.8 |
[M+K]+ | 768.88816 | 214.0 |
[M+H-H2O]+ | 712.92226 | 182.8 |
[M+HCOO]- | 774.92320 | 212.1 |
[M+CH3COO]- | 788.93885 | 262.4 |
[M+Na-2H]- | 750.89967 | 198.1 |
[M]+ | 729.92445 | 196.3 |
[M]- | 729.92555 | 196.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.