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 149.0
[M+Na]+ 252.07951 157.6
[M-H]- 228.08301 153.3
[M+NH4]+ 247.12411 165.6
[M+K]+ 268.05345 153.4
[M+H-H2O]+ 212.08755 140.1
[M+HCOO]- 274.08849 170.4
[M+CH3COO]- 288.10414 191.6
[M+Na-2H]- 250.06496 153.9
[M]+ 229.08974 148.4
[M]- 229.09084 148.4
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

No patent data available for this compound.