CID 146021373

3-(3-formyl-2-hydroxyphenoxy)-2-hydroxybenzaldehyde

Structural Information

Molecular Formula

C₁₄H₁₀O₅

SMILES

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

InChI

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

InChIKey

CPRVARVYXFFOOH-UHFFFAOYSA-N

Compound name

3-(3-formyl-2-hydroxyphenoxy)-2-hydroxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 258.05283 Da
Monoisotopic Mass: 2.8
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	152.8
[M+Na]+	281.042048	162.4
[M-H]-	257.045554	158.0
[M+NH4]+	276.086653	168.5
[M+K]+	297.015988	158.7
[M+H-H2O]+	241.050090	145.9
[M+HCOO]-	303.051031	175.6
[M+CH3COO]-	317.066681	190.7
[M+Na-2H]-	279.027496	157.3
[M]+	258.05228142	155.6
[M]-	258.05337858	155.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.