CID 96317
1,2-dihydro-3,4,5,6-tetraphenylphthalic anhydride
Structural Information
- Molecular Formula
- C32H22O3
- SMILES
- C1=CC=C(C=C1)C2=C(C(=C(C3C2C(=O)OC3=O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6
- InChI
- InChI=1S/C32H22O3/c33-31-29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(30(29)32(34)35-31)24-19-11-4-12-20-24/h1-20,29-30H
- InChIKey
- SDIBWMJFIDQLCK-UHFFFAOYSA-N
- Compound name
- 4,5,6,7-tetraphenyl-3a,7a-dihydro-2-benzofuran-1,3-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 455.16418 | 214.1 |
[M+Na]+ | 477.14612 | 221.3 |
[M-H]- | 453.14962 | 230.9 |
[M+NH4]+ | 472.19072 | 222.6 |
[M+K]+ | 493.12006 | 214.4 |
[M+H-H2O]+ | 437.15416 | 202.1 |
[M+HCOO]- | 499.15510 | 232.7 |
[M+CH3COO]- | 513.17075 | 223.0 |
[M+Na-2H]- | 475.13157 | 212.6 |
[M]+ | 454.15635 | 212.8 |
[M]- | 454.15745 | 212.8 |