CID 656936

2-(4-hydroxy-phenyl)benzofuran-5-ol

Structural Information

Molecular Formula

C₁₄H₁₀O₃

SMILES

C1=CC(=CC=C1C2=CC3=C(O2)C=CC(=C3)O)O

InChI

InChI=1S/C14H10O3/c15-11-3-1-9(2-4-11)14-8-10-7-12(16)5-6-13(10)17-14/h1-8,15-16H

InChIKey

SNNNDCMXZYWCCI-UHFFFAOYSA-N

Compound name

2-(4-hydroxyphenyl)-1-benzofuran-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 17
Patents: 226.06299 Da
Monoisotopic Mass: 3.3
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]+	227.07027	145.2
[M+Na]+	249.05221	156.2
[M-H]-	225.05571	152.5
[M+NH4]+	244.09681	164.0
[M+K]+	265.02615	152.6
[M+H-H2O]+	209.06025	139.6
[M+HCOO]-	271.06119	168.4
[M+CH3COO]-	285.07684	159.5
[M+Na-2H]-	247.03766	152.6
[M]+	226.06244	147.9
[M]-	226.06354	147.9

Literature stripe

literature stripe

Patent stripe

patents stripe