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 189.3
[M+Na]+ 429.07116 201.9
[M-H]- 405.07466 199.4
[M+NH4]+ 424.11576 201.8
[M+K]+ 445.04510 200.4
[M+H-H2O]+ 389.07920 181.2
[M+HCOO]- 451.08014 207.2
[M+CH3COO]- 465.09579 225.4
[M+Na-2H]- 427.05661 192.4
[M]+ 406.08139 204.7
[M]- 406.08249 204.7
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.