CID 101943858

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

Structural Information

Molecular Formula
C21H21ClO8
SMILES
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C(=C3OC)OC)Cl)OC)OC)OC
InChI
InChI=1S/C21H21ClO8/c1-24-11-8-7-10(9-12(11)25-2)16-21(29-6)15(23)13-17(26-3)19(27-4)14(22)20(28-5)18(13)30-16/h7-9H,1-6H3
InChIKey
YMQQCBFLPJFYJI-UHFFFAOYSA-N
Compound name
7-chloro-2-(3,4-dimethoxyphenyl)-3,5,6,8-tetramethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.0925 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.09978 196.0
[M+Na]+ 459.08172 208.6
[M-H]- 435.08522 206.2
[M+NH4]+ 454.12632 207.4
[M+K]+ 475.05566 208.0
[M+H-H2O]+ 419.08976 187.7
[M+HCOO]- 481.09070 213.6
[M+CH3COO]- 495.10635 231.9
[M+Na-2H]- 457.06717 198.2
[M]+ 436.09195 213.5
[M]- 436.09305 213.5
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.