CID 139594153
Tefluthrin metabolite v (rac)
Structural Information
- Molecular Formula
- C17H12ClF7O4
- SMILES
- CC1([C@H]([C@H]1C(=O)OCC2=C(C(=C(C(=C2F)F)C(=O)O)F)F)/C=C(/C(F)(F)F)\Cl)C
- InChI
- InChI=1S/C17H12ClF7O4/c1-16(2)6(3-7(18)17(23,24)25)9(16)15(28)29-4-5-10(19)12(21)8(14(26)27)13(22)11(5)20/h3,6,9H,4H2,1-2H3,(H,26,27)/b7-3-/t6-,9-/m0/s1
- InChIKey
- AHJRQAQCFHXDIR-IGCNDQTLSA-N
- Compound name
- 4-[[(1R,3R)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropanecarbonyl]oxymethyl]-2,3,5,6-tetrafluorobenzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 449.03850 | 168.7 |
[M+Na]+ | 471.02044 | 181.5 |
[M-H]- | 447.02394 | 167.2 |
[M+NH4]+ | 466.06504 | 176.4 |
[M+K]+ | 486.99438 | 174.3 |
[M+H-H2O]+ | 431.02848 | 159.8 |
[M+HCOO]- | 493.02942 | 174.8 |
[M+CH3COO]- | 507.04507 | 229.9 |
[M+Na-2H]- | 469.00589 | 164.7 |
[M]+ | 448.03067 | 169.2 |
[M]- | 448.03177 | 169.2 |
Literature stripe
Patent stripe
No patent data available for this compound.