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]+ 230.097566 149.0
[M+Na]+ 252.079508 157.6
[M-H]- 228.083014 153.3
[M+NH4]+ 247.124113 165.6
[M+K]+ 268.053448 153.4
[M+H-H2O]+ 212.087550 140.1
[M+HCOO]- 274.088491 170.4
[M+CH3COO]- 288.104141 191.6
[M+Na-2H]- 250.064956 153.9
[M]+ 229.08974142 148.4
[M]- 229.09083858 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.