CID 90703276

Chembl3422850

Structural Information

Molecular Formula

C₁₄H₁₀O₅

SMILES

C1=C(C=C(C=C1O)O)C2=CC3=CC(=C(C=C3O2)O)O

InChI

InChI=1S/C14H10O5/c15-9-1-7(2-10(16)5-9)13-4-8-3-11(17)12(18)6-14(8)19-13/h1-6,15-18H

InChIKey

FDARKUSEVNCTHK-UHFFFAOYSA-N

Compound name

2-(3,5-dihydroxyphenyl)-1-benzofuran-5,6-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 7
Patents: 258.05283 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	259.060106	152.0
[M+Na]+	281.042048	163.4
[M-H]-	257.045554	157.3
[M+NH4]+	276.086653	168.5
[M+K]+	297.015988	159.7
[M+H-H2O]+	241.050090	146.8
[M+HCOO]-	303.051031	172.4
[M+CH3COO]-	317.066681	165.3
[M+Na-2H]-	279.027496	157.3
[M]+	258.05228142	154.9
[M]-	258.05337858	154.9

Literature stripe

literature stripe

Patent stripe

patents stripe