CID 12309904

3',4',7,8-tetrahydroxyflavanone

Structural Information

Molecular Formula
C15H12O6
SMILES
C1C(OC2=C(C1=O)C=CC(=C2O)O)C3=CC(=C(C=C3)O)O
InChI
InChI=1S/C15H12O6/c16-9-3-1-7(5-12(9)19)13-6-11(18)8-2-4-10(17)14(20)15(8)21-13/h1-5,13,16-17,19-20H,6H2
InChIKey
ZPVNWCMRCGXRJD-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

67
Patents

288.0634 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.07068 161.0
[M+Na]+ 311.05262 169.9
[M-H]- 287.05612 165.1
[M+NH4]+ 306.09722 174.0
[M+K]+ 327.02656 166.8
[M+H-H2O]+ 271.06066 154.3
[M+HCOO]- 333.06160 176.1
[M+CH3COO]- 347.07725 194.1
[M+Na-2H]- 309.03807 164.8
[M]+ 288.06285 160.3
[M]- 288.06395 160.3
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

patents stripe