CID 439901

4'-methoxyisoflavone

Structural Information

Molecular Formula
C16H12O3
SMILES
COC1=CC=C(C=C1)C2=COC3=CC=CC=C3C2=O
InChI
InChI=1S/C16H12O3/c1-18-12-8-6-11(7-9-12)14-10-19-15-5-3-2-4-13(15)16(14)17/h2-10H,1H3
InChIKey
RIKPNWPEMPODJD-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

6125
Patents

252.07864 Da
Monoisotopic Mass

3.2
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.