CID 248349

Phloroglucide

Structural Information

Molecular Formula

C₁₂H₁₀O₅

SMILES

C1=C(C=C(C=C1O)O)C2=C(C=C(C=C2O)O)O

InChI

InChI=1S/C12H10O5/c13-7-1-6(2-8(14)3-7)12-10(16)4-9(15)5-11(12)17/h1-5,13-17H

InChIKey

KICYRZIVKKYRFS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1486
Patents: 234.05283 Da
Monoisotopic Mass: 1.8
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]+	235.060106	147.8
[M+Na]+	257.042048	157.2
[M-H]-	233.045554	149.5
[M+NH4]+	252.086653	162.8
[M+K]+	273.015988	152.8
[M+H-H2O]+	217.050090	142.1
[M+HCOO]-	279.051031	166.2
[M+CH3COO]-	293.066681	180.9
[M+Na-2H]-	255.027496	151.1
[M]+	234.05228142	146.3
[M]-	234.05337858	146.3

Literature stripe

literature stripe

Patent stripe

patents stripe