CID 668892

N-(3,4-dichlorophenyl)pyridine-3-carboxamide

Structural Information

Molecular Formula
C12H8Cl2N2O
SMILES
C1=CC(=CN=C1)C(=O)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H8Cl2N2O/c13-10-4-3-9(6-11(10)14)16-12(17)8-2-1-5-15-7-8/h1-7H,(H,16,17)
InChIKey
IYDLXJKXXFJVDU-UHFFFAOYSA-N
Compound name
N-(3,4-dichlorophenyl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

266.00137 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.00865 154.9
[M+Na]+ 288.99059 171.1
[M+NH4]+ 284.03519 163.9
[M+K]+ 304.96453 162.4
[M-H]- 264.99409 159.4
[M+Na-2H]- 286.97604 164.9
[M]+ 266.00082 159.2
[M]- 266.00192 159.2
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

No patent data available for this compound.