CID 9857489

Chebi:192775

Structural Information

Molecular Formula
C16H12O6
SMILES
COC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3)O)O)O
InChI
InChI=1S/C16H12O6/c1-21-14-6-8(2-4-10(14)17)13-7-12(19)9-3-5-11(18)15(20)16(9)22-13/h2-7,17-18,20H,1H3
InChIKey
XKHFFEXSEGYYFD-UHFFFAOYSA-N
Compound name
7,8-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

300.0634 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.07068 164.6
[M+Na]+ 323.05262 180.3
[M+NH4]+ 318.09722 171.3
[M+K]+ 339.02656 174.9
[M-H]- 299.05612 168.9
[M+Na-2H]- 321.03807 170.7
[M]+ 300.06285 168.1
[M]- 300.06395 168.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe