CID 5480904

152969-67-0

Structural Information

Molecular Formula
C15H9FO4
SMILES
C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)F
InChI
InChI=1S/C15H9FO4/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,17-18H
InChIKey
XSYORHATJHJUAA-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-5,7-dihydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

272.0485 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.05578 155.8
[M+Na]+ 295.03772 167.4
[M-H]- 271.04122 161.8
[M+NH4]+ 290.08232 171.0
[M+K]+ 311.01166 163.4
[M+H-H2O]+ 255.04576 147.9
[M+HCOO]- 317.04670 175.6
[M+CH3COO]- 331.06235 168.8
[M+Na-2H]- 293.02317 162.2
[M]+ 272.04795 157.0
[M]- 272.04905 157.0
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