CID 11174076

6563-66-2

Structural Information

Molecular Formula
C16H12O6
SMILES
COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O
InChI
InChI=1S/C16H12O6/c1-21-9-4-2-8(3-5-9)12-6-10(17)14-13(22-12)7-11(18)15(19)16(14)20/h2-7,18-20H,1H3
InChIKey
XVMMEYCPXZYLAI-UHFFFAOYSA-N
Compound name
5,6,7-trihydroxy-2-(4-methoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

18
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 163.6
[M+Na]+ 323.05262 174.5
[M-H]- 299.05612 169.7
[M+NH4]+ 318.09722 177.0
[M+K]+ 339.02656 171.7
[M+H-H2O]+ 283.06066 156.3
[M+HCOO]- 345.06160 182.8
[M+CH3COO]- 359.07725 198.5
[M+Na-2H]- 321.03807 169.1
[M]+ 300.06285 167.7
[M]- 300.06395 167.7
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