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

compound 2d structure
2
Annotation Hits

0
References

139
Patents

452.14124 Da
Monoisotopic Mass

7.8
XlogP (predicted)

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
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