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

14
Patents

288.0634 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.07068 161.0
[M+Na]+ 311.05262 168.3
[M-H]- 287.05612 163.2
[M+NH4]+ 306.09722 173.7
[M+K]+ 327.02656 164.8
[M+H-H2O]+ 271.06066 154.3
[M+HCOO]- 333.06160 178.5
[M+CH3COO]- 347.07725 193.5
[M+Na-2H]- 309.03807 161.6
[M]+ 288.06285 160.6
[M]- 288.06395 160.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe