CID 5360930

5,7,8-trihydroxy-3-methoxyflavone

Structural Information

Molecular Formula
C16H12O6
SMILES
COC1=C(OC2=C(C1=O)C(=CC(=C2O)O)O)C3=CC=CC=C3
InChI
InChI=1S/C16H12O6/c1-21-16-13(20)11-9(17)7-10(18)12(19)15(11)22-14(16)8-5-3-2-4-6-8/h2-7,17-19H,1H3
InChIKey
IDYSOKBAVNNCSS-UHFFFAOYSA-N
Compound name
5,7,8-trihydroxy-3-methoxy-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

300.0634 Da
Monoisotopic Mass

2.8
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