CID 175483

4-(3-chloro-5-propylphenyl)pyridine

Structural Information

Molecular Formula

C₁₄H₁₄ClN

SMILES

CCCC1=CC(=CC(=C1)Cl)C2=CC=NC=C2

InChI

InChI=1S/C14H14ClN/c1-2-3-11-8-13(10-14(15)9-11)12-4-6-16-7-5-12/h4-10H,2-3H2,1H3

InChIKey

QJNFCQKHQJMVAZ-UHFFFAOYSA-N

Compound name

4-(3-chloro-5-propylphenyl)pyridine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 231.08148 Da
Monoisotopic Mass: 4.4
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]+	232.088756	150.1
[M+Na]+	254.070698	159.4
[M-H]-	230.074204	155.3
[M+NH4]+	249.115303	167.8
[M+K]+	270.044638	153.5
[M+H-H2O]+	214.078740	142.7
[M+HCOO]-	276.079681	168.5
[M+CH3COO]-	290.095331	163.0
[M+Na-2H]-	252.056146	156.3
[M]+	231.08093142	152.5
[M]-	231.08202858	152.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.