CID 5271528

644973-57-9

Structural Information

Molecular Formula
C15H11FO3
SMILES
C1=CC=C(C=C1)C2C(C(=O)C3=C(O2)C(=CC=C3)F)O
InChI
InChI=1S/C15H11FO3/c16-11-8-4-7-10-12(17)13(18)14(19-15(10)11)9-5-2-1-3-6-9/h1-8,13-14,18H
InChIKey
AZLTYHNWFUOGKR-UHFFFAOYSA-N
Compound name
8-fluoro-3-hydroxy-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0692 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07648 154.0
[M+Na]+ 281.05842 163.2
[M-H]- 257.06192 160.2
[M+NH4]+ 276.10302 170.1
[M+K]+ 297.03236 159.7
[M+H-H2O]+ 241.06646 146.0
[M+HCOO]- 303.06740 172.3
[M+CH3COO]- 317.08305 166.4
[M+Na-2H]- 279.04387 159.6
[M]+ 258.06865 152.3
[M]- 258.06975 152.3
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

No patent data available for this compound.