CID 16763026

2-(2-chlorophenoxy)pyridine-4-carbonitrile

Structural Information

Molecular Formula
C12H7ClN2O
SMILES
C1=CC=C(C(=C1)OC2=NC=CC(=C2)C#N)Cl
InChI
InChI=1S/C12H7ClN2O/c13-10-3-1-2-4-11(10)16-12-7-9(8-14)5-6-15-12/h1-7H
InChIKey
MGQVZGPTGDVVIR-UHFFFAOYSA-N
Compound name
2-(2-chlorophenoxy)pyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.02469 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.03197 148.5
[M+Na]+ 253.01391 164.3
[M+NH4]+ 248.05851 154.3
[M+K]+ 268.98785 152.8
[M-H]- 229.01741 145.5
[M+Na-2H]- 250.99936 156.0
[M]+ 230.02414 149.5
[M]- 230.02524 149.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.