CID 5280666

Chrysoeriol

Structural Information

Molecular Formula
C16H12O6
SMILES
COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O
InChI
InChI=1S/C16H12O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-7,17-19H,1H3
InChIKey
SCZVLDHREVKTSH-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

188
References

1215
Patents

300.0634 Da
Monoisotopic Mass

1.7
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

literature stripe

Patent stripe

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