CID 90169437
Fluoxapiprolin
Structural Information
- Molecular Formula
- C25H24ClF4N5O5S2
- SMILES
- CS(=O)(=O)OC1=C(C(=CC=C1)Cl)C2CC(=NO2)C3=CSC(=N3)C4CCN(CC4)C(=O)CN5C(=CC(=N5)C(F)F)C(F)F
- InChI
- InChI=1S/C25H24ClF4N5O5S2/c1-42(37,38)40-19-4-2-3-14(26)22(19)20-10-15(33-39-20)17-12-41-25(31-17)13-5-7-34(8-6-13)21(36)11-35-18(24(29)30)9-16(32-35)23(27)28/h2-4,9,12-13,20,23-24H,5-8,10-11H2,1H3
- InChIKey
- ZEXXEODAXHSRDJ-UHFFFAOYSA-N
- Compound name
- [2-[3-[2-[1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]-4,5-dihydro-1,2-oxazol-5-yl]-3-chlorophenyl] methanesulfonate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 650.09163 | 233.5 |
[M+Na]+ | 672.07357 | 242.3 |
[M-H]- | 648.07707 | 241.5 |
[M+NH4]+ | 667.11817 | 234.1 |
[M+K]+ | 688.04751 | 237.7 |
[M+H-H2O]+ | 632.08161 | 224.8 |
[M+HCOO]- | 694.08255 | 229.4 |
[M+CH3COO]- | 708.09820 | 238.6 |
[M+Na-2H]- | 670.05902 | 221.9 |
[M]+ | 649.08380 | 238.6 |
[M]- | 649.08490 | 238.6 |