CID 64593786

6-(4-chlorophenoxy)pyridine-2-carbonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.02469 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.03197 148.5
[M+Na]+ 253.01391 160.7
[M-H]- 229.01741 152.6
[M+NH4]+ 248.05851 164.0
[M+K]+ 268.98785 154.1
[M+H-H2O]+ 213.02195 134.8
[M+HCOO]- 275.02289 164.4
[M+CH3COO]- 289.03854 160.1
[M+Na-2H]- 250.99936 154.9
[M]+ 230.02414 146.0
[M]- 230.02524 146.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.