CID 10732214

3,4,2',4',alpha-pentahydroxydihydrochalcone

Structural Information

Molecular Formula
C15H14O6
SMILES
C1=CC(=C(C=C1C[C@H](C(=O)C2=C(C=C(C=C2)O)O)O)O)O
InChI
InChI=1S/C15H14O6/c16-9-2-3-10(12(18)7-9)15(21)14(20)6-8-1-4-11(17)13(19)5-8/h1-5,7,14,16-20H,6H2/t14-/m1/s1
InChIKey
CYRHKFJOQQQLAM-CQSZACIVSA-N
Compound name
(2R)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-hydroxypropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.07904 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.08632 162.8
[M+Na]+ 313.06826 169.3
[M-H]- 289.07176 163.6
[M+NH4]+ 308.11286 174.7
[M+K]+ 329.04220 165.6
[M+H-H2O]+ 273.07630 156.3
[M+HCOO]- 335.07724 178.5
[M+CH3COO]- 349.09289 192.1
[M+Na-2H]- 311.05371 162.8
[M]+ 290.07849 161.3
[M]- 290.07959 161.3
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.