CID 2768878

2-chloro-6-(4-methoxyphenyl)nicotinonitrile

Structural Information

Molecular Formula

C₁₃H₉ClN₂O

SMILES

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)Cl

InChI

InChI=1S/C13H9ClN2O/c1-17-11-5-2-9(3-6-11)12-7-4-10(8-15)13(14)16-12/h2-7H,1H3

InChIKey

PELDIRQBLYTDBQ-UHFFFAOYSA-N

Compound name

2-chloro-6-(4-methoxyphenyl)pyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 244.04034 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]+	245.04762	151.5
[M+Na]+	267.02956	167.5
[M+NH4]+	262.07416	157.2
[M+K]+	283.00350	156.0
[M-H]-	243.03306	148.6
[M+Na-2H]-	265.01501	158.6
[M]+	244.03979	152.6
[M]-	244.04089	152.6

Literature stripe

literature stripe

Patent stripe

patents stripe