CID 568919
2,4,6-triphenyl-1,3-dioxane
Structural Information
- Molecular Formula
- C22H20O2
- SMILES
- C1C(OC(OC1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
- InChI
- InChI=1S/C22H20O2/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)24-22(23-20)19-14-8-3-9-15-19/h1-15,20-22H,16H2
- InChIKey
- JISOWUQFKXKMNL-UHFFFAOYSA-N
- Compound name
- 2,4,6-triphenyl-1,3-dioxane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 317.15361 | 176.1 |
[M+Na]+ | 339.13555 | 180.9 |
[M-H]- | 315.13905 | 188.9 |
[M+NH4]+ | 334.18015 | 186.5 |
[M+K]+ | 355.10949 | 177.9 |
[M+H-H2O]+ | 299.14359 | 165.7 |
[M+HCOO]- | 361.14453 | 194.4 |
[M+CH3COO]- | 375.16018 | 186.5 |
[M+Na-2H]- | 337.12100 | 181.1 |
[M]+ | 316.14578 | 172.8 |
[M]- | 316.14688 | 172.8 |