CID 21738089
4-benzoylphenyl dodecanoate
Structural Information
- Molecular Formula
- C25H32O3
- SMILES
- CCCCCCCCCCCC(=O)OC1=CC=C(C=C1)C(=O)C2=CC=CC=C2
- InChI
- InChI=1S/C25H32O3/c1-2-3-4-5-6-7-8-9-13-16-24(26)28-23-19-17-22(18-20-23)25(27)21-14-11-10-12-15-21/h10-12,14-15,17-20H,2-9,13,16H2,1H3
- InChIKey
- FDHGNZHRYOAXEX-UHFFFAOYSA-N
- Compound name
- (4-benzoylphenyl) dodecanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 381.24242 | 198.7 |
[M+Na]+ | 403.22436 | 201.2 |
[M-H]- | 379.22786 | 203.3 |
[M+NH4]+ | 398.26896 | 209.8 |
[M+K]+ | 419.19830 | 196.2 |
[M+H-H2O]+ | 363.23240 | 189.0 |
[M+HCOO]- | 425.23334 | 218.2 |
[M+CH3COO]- | 439.24899 | 221.3 |
[M+Na-2H]- | 401.20981 | 197.5 |
[M]+ | 380.23459 | 203.4 |
[M]- | 380.23569 | 203.4 |
Literature stripe
No literature data available for this compound.