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]+ 253.08592 153.2
[M+Na]+ 275.06786 163.4
[M-H]- 251.07136 162.3
[M+NH4]+ 270.11246 170.1
[M+K]+ 291.04180 160.7
[M+H-H2O]+ 235.07590 145.4
[M+HCOO]- 297.07684 176.6
[M+CH3COO]- 311.09249 167.1
[M+Na-2H]- 273.05331 161.9
[M]+ 252.07809 157.0
[M]- 252.07919 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.