CID 5412999

4h-1-benzopyran-4-one, 3-(4-fluorophenoxy)-7-hydroxy-

Structural Information

Molecular Formula
C15H9FO4
SMILES
C1=CC(=CC=C1OC2=COC3=C(C2=O)C=CC(=C3)O)F
InChI
InChI=1S/C15H9FO4/c16-9-1-4-11(5-2-9)20-14-8-19-13-7-10(17)3-6-12(13)15(14)18/h1-8,17H
InChIKey
QGFPGRUZJPJEKY-UHFFFAOYSA-N
Compound name
3-(4-fluorophenoxy)-7-hydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

272.0485 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.05578 155.3
[M+Na]+ 295.03772 166.4
[M-H]- 271.04122 162.3
[M+NH4]+ 290.08232 170.9
[M+K]+ 311.01166 163.2
[M+H-H2O]+ 255.04576 146.9
[M+HCOO]- 317.04670 176.6
[M+CH3COO]- 331.06235 168.6
[M+Na-2H]- 293.02317 162.9
[M]+ 272.04795 157.9
[M]- 272.04905 157.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe