CID 9934424
Schembl6555768
Structural Information
- Molecular Formula
- C28H29F3O3
- SMILES
- CC1(CCC(C2=CC3=C(C=C(C=C3C=C21)C4=CC=C(C=C4)C(=O)O)C(C(F)(F)F)OC)(C)C)C
- InChI
- InChI=1S/C28H29F3O3/c1-26(2)10-11-27(3,4)23-15-20-19(14-22(23)26)12-18(13-21(20)24(34-5)28(29,30)31)16-6-8-17(9-7-16)25(32)33/h6-9,12-15,24H,10-11H2,1-5H3,(H,32,33)
- InChIKey
- GGBXAGJOPKQCJV-UHFFFAOYSA-N
- Compound name
- 4-[5,5,8,8-tetramethyl-4-(2,2,2-trifluoro-1-methoxyethyl)-6,7-dihydroanthracen-2-yl]benzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 471.21416 | 215.8 |
[M+Na]+ | 493.19610 | 223.9 |
[M-H]- | 469.19960 | 218.6 |
[M+NH4]+ | 488.24070 | 229.2 |
[M+K]+ | 509.17004 | 218.0 |
[M+H-H2O]+ | 453.20414 | 204.5 |
[M+HCOO]- | 515.20508 | 223.7 |
[M+CH3COO]- | 529.22073 | 238.4 |
[M+Na-2H]- | 491.18155 | 214.9 |
[M]+ | 470.20633 | 213.8 |
[M]- | 470.20743 | 213.8 |
Literature stripe
No literature data available for this compound.