CID 81477254

1-(2-fluoro-3-methylphenyl)-2-(pyridin-4-yl)ethan-1-one

Structural Information

Molecular Formula
C14H12FNO
SMILES
CC1=C(C(=CC=C1)C(=O)CC2=CC=NC=C2)F
InChI
InChI=1S/C14H12FNO/c1-10-3-2-4-12(14(10)15)13(17)9-11-5-7-16-8-6-11/h2-8H,9H2,1H3
InChIKey
PZUVEIPVEVOPNP-UHFFFAOYSA-N
Compound name
1-(2-fluoro-3-methylphenyl)-2-pyridin-4-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.09029 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.09757 151.6
[M+Na]+ 252.07951 166.3
[M+NH4]+ 247.12411 159.6
[M+K]+ 268.05345 158.4
[M-H]- 228.08301 154.5
[M+Na-2H]- 250.06496 160.7
[M]+ 229.08974 154.5
[M]- 229.09084 154.5
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.