CID 64107268

2-(3-fluorophenyl)oxan-4-one

Structural Information

Molecular Formula
C11H11FO2
SMILES
C1COC(CC1=O)C2=CC(=CC=C2)F
InChI
InChI=1S/C11H11FO2/c12-9-3-1-2-8(6-9)11-7-10(13)4-5-14-11/h1-3,6,11H,4-5,7H2
InChIKey
PGKAJYJDDKTOOG-UHFFFAOYSA-N
Compound name
2-(3-fluorophenyl)oxan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.07431 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.08159 142.2
[M+Na]+ 217.06353 155.2
[M+NH4]+ 212.10813 150.8
[M+K]+ 233.03747 148.3
[M-H]- 193.06703 146.4
[M+Na-2H]- 215.04898 149.1
[M]+ 194.07376 145.2
[M]- 194.07486 145.2
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.