CID 12097345
Epyrifenacil
Structural Information
- Molecular Formula
- C21H16ClF4N3O6
- SMILES
- CCOC(=O)COC1=C(C=CC=N1)OC2=C(C=C(C(=C2)N3C(=O)C=C(N(C3=O)C)C(F)(F)F)F)Cl
- InChI
- InChI=1S/C21H16ClF4N3O6/c1-3-33-18(31)10-34-19-14(5-4-6-27-19)35-15-8-13(12(23)7-11(15)22)29-17(30)9-16(21(24,25)26)28(2)20(29)32/h4-9H,3,10H2,1-2H3
- InChIKey
- XPEVJXBWHXAUDR-UHFFFAOYSA-N
- Compound name
- ethyl 2-[3-[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenoxy]pyridin-2-yl]oxyacetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 518.07363 | 212.3 |
[M+Na]+ | 540.05557 | 224.8 |
[M-H]- | 516.05907 | 214.6 |
[M+NH4]+ | 535.10017 | 215.6 |
[M+K]+ | 556.02951 | 218.5 |
[M+H-H2O]+ | 500.06361 | 197.6 |
[M+HCOO]- | 562.06455 | 221.3 |
[M+CH3COO]- | 576.08020 | 241.1 |
[M+Na-2H]- | 538.04102 | 211.0 |
[M]+ | 517.06580 | 218.7 |
[M]- | 517.06690 | 218.7 |