CID 5408610

3-(2-fluoro-phenoxy)-7-hydroxy-2-methyl-chromen-4-one

Structural Information

Molecular Formula
C16H11FO4
SMILES
CC1=C(C(=O)C2=C(O1)C=C(C=C2)O)OC3=CC=CC=C3F
InChI
InChI=1S/C16H11FO4/c1-9-16(21-13-5-3-2-4-12(13)17)15(19)11-7-6-10(18)8-14(11)20-9/h2-8,18H,1H3
InChIKey
WYRDFHKSCISXMM-UHFFFAOYSA-N
Compound name
3-(2-fluorophenoxy)-7-hydroxy-2-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.06415 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.07143 160.2
[M+Na]+ 309.05337 171.7
[M-H]- 285.05687 167.4
[M+NH4]+ 304.09797 175.5
[M+K]+ 325.02731 168.5
[M+H-H2O]+ 269.06141 151.8
[M+HCOO]- 331.06235 181.1
[M+CH3COO]- 345.07800 199.6
[M+Na-2H]- 307.03882 166.5
[M]+ 286.06360 163.5
[M]- 286.06470 163.5
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.