CID 71728402

2,4,4',6-tetrahydroxydibenzoylmethane

Structural Information

Molecular Formula

C₁₅H₁₂O₆

SMILES

C1=CC(=CC=C1C(=O)CC(=O)C2=C(C=C(C=C2O)O)O)O

InChI

InChI=1S/C15H12O6/c16-9-3-1-8(2-4-9)11(18)7-14(21)15-12(19)5-10(17)6-13(15)20/h1-6,16-17,19-20H,7H2

InChIKey

LYBOINSLCFYPDG-UHFFFAOYSA-N

Compound name

1-(4-hydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)propane-1,3-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 9
Patents: 288.0634 Da
Monoisotopic Mass: 2.2
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]+	289.070676	161.0
[M+Na]+	311.052618	168.3
[M-H]-	287.056124	163.2
[M+NH4]+	306.097223	173.7
[M+K]+	327.026558	164.8
[M+H-H2O]+	271.060660	154.3
[M+HCOO]-	333.061601	178.5
[M+CH3COO]-	347.077251	193.5
[M+Na-2H]-	309.038066	161.6
[M]+	288.06285142	160.6
[M]-	288.06394858	160.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe