CID 11043024

36175-15-2

Structural Information

Molecular Formula

C₁₄H₁₂ClNO

SMILES

CC1=C(C=CC(=N1)C2=CC=C(C=C2)Cl)C(=O)C

InChI

InChI=1S/C14H12ClNO/c1-9-13(10(2)17)7-8-14(16-9)11-3-5-12(15)6-4-11/h3-8H,1-2H3

InChIKey

OODTXAUEVYFZLU-UHFFFAOYSA-N

Compound name

1-[6-(4-chlorophenyl)-2-methylpyridin-3-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 245.06075 Da
Monoisotopic Mass: 3.2
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]+	246.06803	151.5
[M+Na]+	268.04997	161.7
[M-H]-	244.05347	157.3
[M+NH4]+	263.09457	168.7
[M+K]+	284.02391	156.3
[M+H-H2O]+	228.05801	144.4
[M+HCOO]-	290.05895	169.4
[M+CH3COO]-	304.07460	193.9
[M+Na-2H]-	266.03542	155.9
[M]+	245.06020	154.5
[M]-	245.06130	154.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe