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

compound 2d structure
2
Annotation Hits

0
References

18
Patents

454.1569 Da
Monoisotopic Mass

5.7
XlogP (predicted)

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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe