CID 78478
Tetraphenylphthalic anhydride
Structural Information
- Molecular Formula
- C32H20O3
- SMILES
- C1=CC=C(C=C1)C2=C(C(=C3C(=C2C4=CC=CC=C4)C(=O)OC3=O)C5=CC=CC=C5)C6=CC=CC=C6
- InChI
- InChI=1S/C32H20O3/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/h1-20H
- InChIKey
- RSKXGCFFFZIWNC-UHFFFAOYSA-N
- Compound name
- 4,5,6,7-tetraphenyl-2-benzofuran-1,3-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 453.14852 | 213.9 |
[M+Na]+ | 475.13046 | 222.0 |
[M-H]- | 451.13396 | 231.0 |
[M+NH4]+ | 470.17506 | 222.5 |
[M+K]+ | 491.10440 | 215.1 |
[M+H-H2O]+ | 435.13850 | 201.9 |
[M+HCOO]- | 497.13944 | 233.8 |
[M+CH3COO]- | 511.15509 | 223.3 |
[M+Na-2H]- | 473.11591 | 213.3 |
[M]+ | 452.14069 | 213.9 |
[M]- | 452.14179 | 213.9 |