CID 5310669

4'-fluoro-7-hydroxyisoflavone

Structural Information

Molecular Formula
C15H9FO3
SMILES
C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)F
InChI
InChI=1S/C15H9FO3/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,17H
InChIKey
QSPKURPSCTYUBO-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-7-hydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

16
Patents

256.05356 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.06084 152.2
[M+Na]+ 279.04278 163.4
[M-H]- 255.04628 159.1
[M+NH4]+ 274.08738 168.5
[M+K]+ 295.01672 159.6
[M+H-H2O]+ 239.05082 144.1
[M+HCOO]- 301.05176 173.3
[M+CH3COO]- 315.06741 165.6
[M+Na-2H]- 277.02823 159.7
[M]+ 256.05301 153.3
[M]- 256.05411 153.3
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