CID 484968

Chembl308417

Structural Information

Molecular Formula
C20H12Cl2O4
SMILES
C1=CC=C2C(=C1)C(=O)OC2(C3=CC(=C(C=C3)O)Cl)C4=CC(=C(C=C4)O)Cl
InChI
InChI=1S/C20H12Cl2O4/c21-15-9-11(5-7-17(15)23)20(12-6-8-18(24)16(22)10-12)14-4-2-1-3-13(14)19(25)26-20/h1-10,23-24H
InChIKey
DCEZOJIOLWHWEV-UHFFFAOYSA-N
Compound name
3,3-bis(3-chloro-4-hydroxyphenyl)-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

386.01126 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.01854 185.3
[M+Na]+ 409.00048 197.8
[M-H]- 385.00398 194.9
[M+NH4]+ 404.04508 200.9
[M+K]+ 424.97442 191.0
[M+H-H2O]+ 369.00852 179.6
[M+HCOO]- 431.00946 195.5
[M+CH3COO]- 445.02511 196.9
[M+Na-2H]- 406.98593 187.4
[M]+ 386.01071 190.8
[M]- 386.01181 190.8
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