CID 350338

Dtxsid80897410

Structural Information

Molecular Formula
C32H22O4
SMILES
C1=CC=C(C=C1)C2=C(C=CC(=C2)C3(C4=CC=CC=C4C(=O)O3)C5=CC(=C(C=C5)O)C6=CC=CC=C6)O
InChI
InChI=1S/C32H22O4/c33-29-17-15-23(19-26(29)21-9-3-1-4-10-21)32(28-14-8-7-13-25(28)31(35)36-32)24-16-18-30(34)27(20-24)22-11-5-2-6-12-22/h1-20,33-34H
InChIKey
TYHJGSAUZOLXEM-UHFFFAOYSA-N
Compound name
3,3-bis(4-hydroxy-3-phenylphenyl)-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

470.1518 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.15908 217.1
[M+Na]+ 493.14102 225.1
[M-H]- 469.14452 232.3
[M+NH4]+ 488.18562 225.8
[M+K]+ 509.11496 218.5
[M+H-H2O]+ 453.14906 205.4
[M+HCOO]- 515.15000 234.3
[M+CH3COO]- 529.16565 225.6
[M+Na-2H]- 491.12647 217.3
[M]+ 470.15125 216.5
[M]- 470.15235 216.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe