CID 466291

6-fluoro-3-hydroxy-2-(4-methoxy-phenyl)-chromen-4-one

Structural Information

Molecular Formula
C16H11FO4
SMILES
COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)F)O
InChI
InChI=1S/C16H11FO4/c1-20-11-5-2-9(3-6-11)16-15(19)14(18)12-8-10(17)4-7-13(12)21-16/h2-8,19H,1H3
InChIKey
PMSNUQRARDFRQH-UHFFFAOYSA-N
Compound name
6-fluoro-3-hydroxy-2-(4-methoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

286.06415 Da
Monoisotopic Mass

3.1
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

literature stripe

Patent stripe

patents stripe