CID 2765233

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

Structural Information

Molecular Formula
C12H6Cl2N2
SMILES
C1=CC(=CC=C1C2=NC(=C(C=C2)C#N)Cl)Cl
InChI
InChI=1S/C12H6Cl2N2/c13-10-4-1-8(2-5-10)11-6-3-9(7-15)12(14)16-11/h1-6H
InChIKey
XFWLUBBMHXSZTG-UHFFFAOYSA-N
Compound name
2-chloro-6-(4-chlorophenyl)pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

247.9908 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.99808 151.9
[M+Na]+ 270.98002 165.4
[M-H]- 246.98352 155.6
[M+NH4]+ 266.02462 167.5
[M+K]+ 286.95396 157.0
[M+H-H2O]+ 230.98806 139.2
[M+HCOO]- 292.98900 162.9
[M+CH3COO]- 307.00465 163.2
[M+Na-2H]- 268.96547 156.8
[M]+ 247.99025 149.5
[M]- 247.99135 149.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe