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-methyl-3-pyridinyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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]+	246.068026	151.5
[M+Na]+	268.049968	161.7
[M-H]-	244.053474	157.3
[M+NH4]+	263.094573	168.7
[M+K]+	284.023908	156.3
[M+H-H2O]+	228.058010	144.4
[M+HCOO]-	290.058951	169.4
[M+CH3COO]-	304.074601	193.9
[M+Na-2H]-	266.035416	155.9
[M]+	245.06020142	154.5
[M]-	245.06129858	154.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe