CID 467492

5,7-diacetoxyflavone

Structural Information

Molecular Formula
C19H14O6
SMILES
CC(=O)OC1=CC2=C(C(=C1)OC(=O)C)C(=O)C=C(O2)C3=CC=CC=C3
InChI
InChI=1S/C19H14O6/c1-11(20)23-14-8-17(24-12(2)21)19-15(22)10-16(25-18(19)9-14)13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKey
FAVULDRRJPCIGK-UHFFFAOYSA-N
Compound name
(5-acetyloxy-4-oxo-2-phenylchromen-7-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

35
Patents

338.07904 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.08632 174.0
[M+Na]+ 361.06826 183.1
[M-H]- 337.07176 183.1
[M+NH4]+ 356.11286 187.0
[M+K]+ 377.04220 182.0
[M+H-H2O]+ 321.07630 165.4
[M+HCOO]- 383.07724 195.1
[M+CH3COO]- 397.09289 210.6
[M+Na-2H]- 359.05371 178.3
[M]+ 338.07849 180.7
[M]- 338.07959 180.7
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