CID 6439709
85493-98-7
Structural Information
- Molecular Formula
- C22H23FO3
- SMILES
- CC1=CC(=C(C(=C1)C2=CC(=C(C=C2)F)C)/C=C/[C@@H]3C[C@H](CC(=O)O3)O)C
- InChI
- InChI=1S/C22H23FO3/c1-13-8-14(2)19(6-5-18-11-17(24)12-22(25)26-18)20(9-13)16-4-7-21(23)15(3)10-16/h4-10,17-18,24H,11-12H2,1-3H3/b6-5+/t17-,18-/m1/s1
- InChIKey
- BNIBDNOALUGLCI-PJHKVULZSA-N
- Compound name
- (4R,6S)-6-[(E)-2-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]ethenyl]-4-hydroxyoxan-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 355.17040 | 185.8 |
[M+Na]+ | 377.15234 | 193.8 |
[M-H]- | 353.15584 | 193.8 |
[M+NH4]+ | 372.19694 | 197.3 |
[M+K]+ | 393.12628 | 188.7 |
[M+H-H2O]+ | 337.16038 | 176.3 |
[M+HCOO]- | 399.16132 | 201.8 |
[M+CH3COO]- | 413.17697 | 215.8 |
[M+Na-2H]- | 375.13779 | 183.7 |
[M]+ | 354.16257 | 184.0 |
[M]- | 354.16367 | 184.0 |