CID 71752848
165325-62-2
Structural Information
- Molecular Formula
- C24H12F39O4P
- SMILES
- C(COP(=O)(OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
- InChI
- InChI=1S/C24H12F39O4P/c25-7(26,10(31,32)13(37,38)16(43,44)19(49,50)22(55,56)57)1-4-65-68(64,66-5-2-8(27,28)11(33,34)14(39,40)17(45,46)20(51,52)23(58,59)60)67-6-3-9(29,30)12(35,36)15(41,42)18(47,48)21(53,54)24(61,62)63/h1-6H2
- InChIKey
- LCACBPBFZQHXSG-UHFFFAOYSA-N
- Compound name
- tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1136.9923 | 271.8 |
[M+Na]+ | 1158.9742 | 271.7 |
[M-H]- | 1134.9777 | 284.7 |
[M+NH4]+ | 1154.0188 | 283.7 |
[M+K]+ | 1174.9482 | 286.8 |
[M+H-H2O]+ | 1118.9823 | 257.2 |
[M+HCOO]- | 1180.9832 | 283.1 |
[M+CH3COO]- | 1194.9989 | 282.6 |
[M+Na-2H]- | 1156.9597 | 272.0 |
[M]+ | 1135.9845 | 266.7 |
[M]- | 1135.9855 | 266.7 |
Literature stripe
No literature data available for this compound.