CID 5280378

Formononetin

Structural Information

Molecular Formula
C16H12O4
SMILES
COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O
InChI
InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3
InChIKey
HKQYGTCOTHHOMP-UHFFFAOYSA-N
Compound name
7-hydroxy-3-(4-methoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

810
References

11529
Patents

268.07355 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08083 156.9
[M+Na]+ 291.06277 174.1
[M+NH4]+ 286.10737 165.6
[M+K]+ 307.03671 166.6
[M-H]- 267.06627 163.1
[M+Na-2H]- 289.04822 165.8
[M]+ 268.07300 161.4
[M]- 268.07410 161.4
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