CID 44257596

2',5'-dihydroxyflavone 5'-acetate

Structural Information

Molecular Formula
C17H12O5
SMILES
CC(=O)OC1=CC(=C(C=C1)O)C2=CC(=O)C3=CC=CC=C3O2
InChI
InChI=1S/C17H12O5/c1-10(18)21-11-6-7-14(19)13(8-11)17-9-15(20)12-4-2-3-5-16(12)22-17/h2-9,19H,1H3
InChIKey
MUJHEVWVPDGOKN-UHFFFAOYSA-N
Compound name
[4-hydroxy-3-(4-oxochromen-2-yl)phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.06848 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.075756 163.4
[M+Na]+ 319.057698 173.3
[M-H]- 295.061204 171.5
[M+NH4]+ 314.102303 177.8
[M+K]+ 335.031638 171.0
[M+H-H2O]+ 279.065740 155.6
[M+HCOO]- 341.066681 184.4
[M+CH3COO]- 355.082331 200.5
[M+Na-2H]- 317.043146 169.4
[M]+ 296.06793142 167.7
[M]- 296.06902858 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

No patent data available for this compound.