CID 94525

5-methoxyflavone

Structural Information

Molecular Formula
C16H12O3
SMILES
COC1=CC=CC2=C1C(=O)C=C(O2)C3=CC=CC=C3
InChI
InChI=1S/C16H12O3/c1-18-13-8-5-9-14-16(13)12(17)10-15(19-14)11-6-3-2-4-7-11/h2-10H,1H3
InChIKey
XRQSPUXANRGDAV-UHFFFAOYSA-N
Compound name
5-methoxy-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

27
References

88
Patents

252.07864 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.08592 153.1
[M+Na]+ 275.06786 171.0
[M+NH4]+ 270.11246 162.8
[M+K]+ 291.04180 162.5
[M-H]- 251.07136 160.3
[M+Na-2H]- 273.05331 163.3
[M]+ 252.07809 158.1
[M]- 252.07919 158.1
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