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
8
Annotation Hits

827
References

11702
Patents

268.07355 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.080826 156.7
[M+Na]+ 291.062768 167.3
[M-H]- 267.066274 164.9
[M+NH4]+ 286.107373 172.5
[M+K]+ 307.036708 164.4
[M+H-H2O]+ 251.070810 149.1
[M+HCOO]- 313.071751 178.7
[M+CH3COO]- 327.087401 170.2
[M+Na-2H]- 289.048216 164.4
[M]+ 268.07300142 160.6
[M]- 268.07409858 160.6
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