CID 364695

Nsc631347

Structural Information

Molecular Formula

C₁₂H₁₀O₆

SMILES

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

InChI

InChI=1S/C12H10O6/c13-6-4-8(15)12(9(16)5-6)18-10-3-1-2-7(14)11(10)17/h1-5,13-17H

InChIKey

OENHXUYXLFGBFT-UHFFFAOYSA-N

Compound name

2-(2,3-dihydroxyphenoxy)benzene-1,3,5-triol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 250.04774 Da
Monoisotopic Mass: 1.7
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]+	251.05502	150.4
[M+Na]+	273.03696	159.5
[M-H]-	249.04046	152.0
[M+NH4]+	268.08156	164.6
[M+K]+	289.01090	155.9
[M+H-H2O]+	233.04500	144.3
[M+HCOO]-	295.04594	168.9
[M+CH3COO]-	309.06159	183.3
[M+Na-2H]-	271.02241	153.8
[M]+	250.04719	150.3
[M]-	250.04829	150.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe