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

7
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 157.0
[M+Na]+ 293.05842 168.7
[M-H]- 269.06192 164.2
[M+NH4]+ 288.10302 173.1
[M+K]+ 309.03236 164.8
[M+H-H2O]+ 253.06646 148.9
[M+HCOO]- 315.06740 177.8
[M+CH3COO]- 329.08305 170.4
[M+Na-2H]- 291.04387 163.2
[M]+ 270.06865 158.9
[M]- 270.06975 158.9
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