CID 138395076
Dtxsid80897475
Structural Information
- Molecular Formula
- C20H19F13N2O2
- SMILES
- C1CN(C(=N1)C2=CC=CC=C2)CC(COCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
- InChI
- InChI=1S/C20H19F13N2O2/c21-15(22,16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)33)6-9-37-11-13(36)10-35-8-7-34-14(35)12-4-2-1-3-5-12/h1-5,13,36H,6-11H2
- InChIKey
- RRBZUUUVOKHTLH-UHFFFAOYSA-N
- Compound name
- 1-(2-phenyl-4,5-dihydroimidazol-1-yl)-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)propan-2-ol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 567.13118 | 218.6 |
[M+Na]+ | 589.11312 | 224.4 |
[M-H]- | 565.11662 | 206.1 |
[M+NH4]+ | 584.15772 | 220.6 |
[M+K]+ | 605.08706 | 218.6 |
[M+H-H2O]+ | 549.12116 | 201.6 |
[M+HCOO]- | 611.12210 | 212.7 |
[M+CH3COO]- | 625.13775 | 245.4 |
[M+Na-2H]- | 587.09857 | 218.0 |
[M]+ | 566.12335 | 200.6 |
[M]- | 566.12445 | 200.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.