CID 484972

Chembl302555

Structural Information

Molecular Formula
C24H14Cl2O4
SMILES
C1=CC=C2C=C3C(=CC2=C1)C(=O)OC3(C4=CC(=C(C=C4)O)Cl)C5=CC(=C(C=C5)O)Cl
InChI
InChI=1S/C24H14Cl2O4/c25-19-11-15(5-7-21(19)27)24(16-6-8-22(28)20(26)12-16)18-10-14-4-2-1-3-13(14)9-17(18)23(29)30-24/h1-12,27-28H
InChIKey
DDSOSIBFGQACTG-UHFFFAOYSA-N
Compound name
3,3-bis(3-chloro-4-hydroxyphenyl)benzo[f][2]benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

436.02692 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.03420 200.3
[M+Na]+ 459.01614 213.1
[M-H]- 435.01964 210.7
[M+NH4]+ 454.06074 214.7
[M+K]+ 474.99008 205.7
[M+H-H2O]+ 419.02418 193.3
[M+HCOO]- 481.02512 208.7
[M+CH3COO]- 495.04077 210.8
[M+Na-2H]- 457.00159 202.0
[M]+ 436.02637 206.4
[M]- 436.02747 206.4
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

No patent data available for this compound.