CID 101943859

7-chloro-3,4',5,6,8-pentamethoxyflavone

Structural Information

Molecular Formula
C20H19ClO7
SMILES
COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C(=C3OC)OC)Cl)OC)OC
InChI
InChI=1S/C20H19ClO7/c1-23-11-8-6-10(7-9-11)15-20(27-5)14(22)12-16(24-2)18(25-3)13(21)19(26-4)17(12)28-15/h6-9H,1-5H3
InChIKey
XHKNIXRPLGLVRM-UHFFFAOYSA-N
Compound name
7-chloro-3,5,6,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.08194 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.08922 189.6
[M+Na]+ 429.07116 207.0
[M+NH4]+ 424.11576 196.3
[M+K]+ 445.04510 199.9
[M-H]- 405.07466 194.9
[M+Na-2H]- 427.05661 195.7
[M]+ 406.08139 194.1
[M]- 406.08249 194.1
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

No patent data available for this compound.