CID 107078

68052-16-4

Structural Information

Molecular Formula

C₁₃H₁₂O₃

SMILES

C1=CC=C(C=C1)C(C2=C(C=C(C=C2)O)O)O

InChI

InChI=1S/C13H12O3/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h1-8,13-16H

InChIKey

LVYZWDOXAIFVRX-UHFFFAOYSA-N

Compound name

4-[hydroxy(phenyl)methyl]benzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 216.07864 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]+	217.08592	145.9
[M+Na]+	239.06786	153.1
[M-H]-	215.07136	149.2
[M+NH4]+	234.11246	162.3
[M+K]+	255.04180	149.1
[M+H-H2O]+	199.07590	139.7
[M+HCOO]-	261.07684	165.8
[M+CH3COO]-	275.09249	180.9
[M+Na-2H]-	237.05331	150.5
[M]+	216.07809	143.6
[M]-	216.07919	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe