CID 77793

4'-methoxyflavone

Structural Information

Molecular Formula
C16H12O3
SMILES
COC1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2
InChI
InChI=1S/C16H12O3/c1-18-12-8-6-11(7-9-12)16-10-14(17)13-4-2-3-5-15(13)19-16/h2-10H,1H3
InChIKey
OMICQBVLCVRFGN-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

43
References

293
Patents

252.07864 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.085916 153.2
[M+Na]+ 275.067858 163.4
[M-H]- 251.071364 162.3
[M+NH4]+ 270.112463 170.1
[M+K]+ 291.041798 160.7
[M+H-H2O]+ 235.075900 145.4
[M+HCOO]- 297.076841 176.6
[M+CH3COO]- 311.092491 167.1
[M+Na-2H]- 273.053306 161.9
[M]+ 252.07809142 157.0
[M]- 252.07918858 157.0
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