CID 17759602
Isoxazole carboxylic acid, 19
Structural Information
- Molecular Formula
- C23H19F4NO3
- SMILES
- C1CCC(CC1)C2=C(C=CC(=C2)C3=CC(=C(C=C3)F)C(F)(F)F)C4=CC(=NO4)C(=O)O
- InChI
- InChI=1S/C23H19F4NO3/c24-19-9-7-15(11-18(19)23(25,26)27)14-6-8-16(21-12-20(22(29)30)28-31-21)17(10-14)13-4-2-1-3-5-13/h6-13H,1-5H2,(H,29,30)
- InChIKey
- WDHWIVUIANFBPK-UHFFFAOYSA-N
- Compound name
- 5-[2-cyclohexyl-4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-1,2-oxazole-3-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 434.13738 | 200.5 |
[M+Na]+ | 456.11932 | 207.2 |
[M-H]- | 432.12282 | 206.1 |
[M+NH4]+ | 451.16392 | 207.8 |
[M+K]+ | 472.09326 | 201.4 |
[M+H-H2O]+ | 416.12736 | 187.6 |
[M+HCOO]- | 478.12830 | 210.9 |
[M+CH3COO]- | 492.14395 | 224.7 |
[M+Na-2H]- | 454.10477 | 196.7 |
[M]+ | 433.12955 | 193.4 |
[M]- | 433.13065 | 193.4 |