CID 3044388

Beta-(3,4-dihydroxyphenyl)-2,3,4-trihydroxyacetophenone

Structural Information

Molecular Formula
C14H12O6
SMILES
C1=CC(=C(C=C1CC(=O)C2=C(C(=C(C=C2)O)O)O)O)O
InChI
InChI=1S/C14H12O6/c15-9-3-1-7(6-12(9)18)5-11(17)8-2-4-10(16)14(20)13(8)19/h1-4,6,15-16,18-20H,5H2
InChIKey
LJCVUKQHTRALER-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)-1-(2,3,4-trihydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.0634 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.07068 160.4
[M+Na]+ 299.05262 172.3
[M+NH4]+ 294.09722 165.4
[M+K]+ 315.02656 169.0
[M-H]- 275.05612 160.8
[M+Na-2H]- 297.03807 164.7
[M]+ 276.06285 161.9
[M]- 276.06395 161.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.