CID 53785840

3',4',5,7-tetrahydroxyisoflavanone

Structural Information

Molecular Formula
C15H12O6
SMILES
C1C(C(=O)C2=C(C=C(C=C2O1)O)O)C3=CC(=C(C=C3)O)O
InChI
InChI=1S/C15H12O6/c16-8-4-12(19)14-13(5-8)21-6-9(15(14)20)7-1-2-10(17)11(18)3-7/h1-5,9,16-19H,6H2
InChIKey
DYLLIDCIKLUGBZ-UHFFFAOYSA-N
Compound name
3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
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 161.9
[M+Na]+ 311.05262 175.3
[M+NH4]+ 306.09722 168.3
[M+K]+ 327.02656 171.0
[M-H]- 287.05612 165.2
[M+Na-2H]- 309.03807 165.9
[M]+ 288.06285 164.6
[M]- 288.06395 164.6
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

patents stripe