CID 3045121
Brn 2303125
Structural Information
- Molecular Formula
- C19H25F3O3
- SMILES
- CC1CC(CC(C1)(C)C)OC(=O)C(C)OC2=CC=CC(=C2)C(F)(F)F
- InChI
- InChI=1S/C19H25F3O3/c1-12-8-16(11-18(3,4)10-12)25-17(23)13(2)24-15-7-5-6-14(9-15)19(20,21)22/h5-7,9,12-13,16H,8,10-11H2,1-4H3
- InChIKey
- IIDBOOYTZBNAEW-UHFFFAOYSA-N
- Compound name
- (3,3,5-trimethylcyclohexyl) 2-[3-(trifluoromethyl)phenoxy]propanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 359.18285 | 182.8 |
[M+Na]+ | 381.16479 | 188.3 |
[M-H]- | 357.16829 | 184.9 |
[M+NH4]+ | 376.20939 | 197.6 |
[M+K]+ | 397.13873 | 185.7 |
[M+H-H2O]+ | 341.17283 | 173.7 |
[M+HCOO]- | 403.17377 | 195.2 |
[M+CH3COO]- | 417.18942 | 215.2 |
[M+Na-2H]- | 379.15024 | 181.3 |
[M]+ | 358.17502 | 179.2 |
[M]- | 358.17612 | 179.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.