CID 14988696

70581-00-9

Structural Information

Molecular Formula

C₁₃H₁₁NO

SMILES

CC(=O)C1=CC=C(C=C1)C2=CC=NC=C2

InChI

InChI=1S/C13H11NO/c1-10(15)11-2-4-12(5-3-11)13-6-8-14-9-7-13/h2-9H,1H3

InChIKey

LCQWVYDFAHJHLM-UHFFFAOYSA-N

Compound name

1-(4-pyridin-4-ylphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 52
Patents: 197.08406 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	198.09134	142.7
[M+Na]+	220.07328	158.4
[M+NH4]+	215.11788	151.9
[M+K]+	236.04722	150.5
[M-H]-	196.07678	147.2
[M+Na-2H]-	218.05873	153.3
[M]+	197.08351	146.4
[M]-	197.08461	146.4

Literature stripe

literature stripe

Patent stripe

patents stripe