CID 14632193

4,2',4',alpha-tetrahydroxydihydrochalcone

Structural Information

Molecular Formula
C15H14O5
SMILES
C1=CC(=CC=C1C[C@H](C(=O)C2=C(C=C(C=C2)O)O)O)O
InChI
InChI=1S/C15H14O5/c16-10-3-1-9(2-4-10)7-14(19)15(20)12-6-5-11(17)8-13(12)18/h1-6,8,14,16-19H,7H2/t14-/m1/s1
InChIKey
SLKHLLNCFGPWAZ-CQSZACIVSA-N
Compound name
(2R)-1-(2,4-dihydroxyphenyl)-2-hydroxy-3-(4-hydroxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.08414 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.09142 159.9
[M+Na]+ 297.07336 166.3
[M-H]- 273.07686 161.8
[M+NH4]+ 292.11796 173.1
[M+K]+ 313.04730 162.4
[M+H-H2O]+ 257.08140 153.3
[M+HCOO]- 319.08234 177.1
[M+CH3COO]- 333.09799 190.5
[M+Na-2H]- 295.05881 161.1
[M]+ 274.08359 158.4
[M]- 274.08469 158.4
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.