CID 5400230

3-(4-fluorophenyl)-7-hydroxy-2-methyl-4h-chromen-4-one

Structural Information

Molecular Formula
C16H11FO3
SMILES
CC1=C(C(=O)C2=C(O1)C=C(C=C2)O)C3=CC=C(C=C3)F
InChI
InChI=1S/C16H11FO3/c1-9-15(10-2-4-11(17)5-3-10)16(19)13-7-6-12(18)8-14(13)20-9/h2-8,18H,1H3
InChIKey
HGKUOYYHCHOYOJ-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-7-hydroxy-2-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

270.0692 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.07648 159.3
[M+Na]+ 293.05842 176.1
[M+NH4]+ 288.10302 167.7
[M+K]+ 309.03236 168.3
[M-H]- 269.06192 164.4
[M+Na-2H]- 291.04387 167.3
[M]+ 270.06865 163.4
[M]- 270.06975 163.4
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