CID 638006

7-methoxyisoflavone

Structural Information

Molecular Formula
C16H12O3
SMILES
COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3
InChI
InChI=1S/C16H12O3/c1-18-12-7-8-13-15(9-12)19-10-14(16(13)17)11-5-3-2-4-6-11/h2-10H,1H3
InChIKey
IECSQLKWZBEUGA-UHFFFAOYSA-N
Compound name
7-methoxy-3-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

95
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

literature stripe

Patent stripe

patents stripe