CID 13889369

5,7,2'-trihydroxy-6'-methoxyflavone

Structural Information

Molecular Formula
C16H12O6
SMILES
COC1=CC=CC(=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O
InChI
InChI=1S/C16H12O6/c1-21-12-4-2-3-9(18)16(12)14-7-11(20)15-10(19)5-8(17)6-13(15)22-14/h2-7,17-19H,1H3
InChIKey
DXCJDOXICXPVHQ-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-(2-hydroxy-6-methoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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