CID 182886

2,2',3-trihydroxydiphenyl ether

Structural Information

Molecular Formula

C₁₂H₁₀O₄

SMILES

C1=CC=C(C(=C1)O)OC2=CC=CC(=C2O)O

InChI

InChI=1S/C12H10O4/c13-8-4-1-2-6-10(8)16-11-7-3-5-9(14)12(11)15/h1-7,13-15H

InChIKey

XEAZDMSYJLCYDK-UHFFFAOYSA-N

Compound name

3-(2-hydroxyphenoxy)benzene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 16
Patents: 218.0579 Da
Monoisotopic Mass: 2.4
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]+	219.065176	144.0
[M+Na]+	241.047118	152.7
[M-H]-	217.050624	147.7
[M+NH4]+	236.091723	160.6
[M+K]+	257.021058	149.0
[M+H-H2O]+	201.055160	137.7
[M+HCOO]-	263.056101	165.4
[M+CH3COO]-	277.071751	180.4
[M+Na-2H]-	239.032566	149.7
[M]+	218.05735142	143.8
[M]-	218.05844858	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe