CID 484971

Chembl308680

Structural Information

Molecular Formula
C24H14F2O4
SMILES
C1=CC=C2C=C3C(=CC2=C1)C(=O)OC3(C4=CC(=C(C=C4)O)F)C5=CC(=C(C=C5)O)F
InChI
InChI=1S/C24H14F2O4/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
TWXPTVBPVYTEDZ-UHFFFAOYSA-N
Compound name
3,3-bis(3-fluoro-4-hydroxyphenyl)benzo[f][2]benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

404.08603 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.09331 194.4
[M+Na]+ 427.07525 206.2
[M-H]- 403.07875 203.1
[M+NH4]+ 422.11985 208.5
[M+K]+ 443.04919 199.7
[M+H-H2O]+ 387.08329 184.2
[M+HCOO]- 449.08423 210.0
[M+CH3COO]- 463.09988 204.8
[M+Na-2H]- 425.06070 196.0
[M]+ 404.08548 194.4
[M]- 404.08658 194.4
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

No patent data available for this compound.