CID 7733907

6-chloro-n-(3-chlorophenyl)pyridine-3-carboxamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.00137 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.008646 153.7
[M+Na]+ 288.990588 163.4
[M-H]- 264.994094 158.6
[M+NH4]+ 284.035193 169.9
[M+K]+ 304.964528 157.1
[M+H-H2O]+ 248.998630 147.0
[M+HCOO]- 310.999571 168.1
[M+CH3COO]- 325.015221 195.4
[M+Na-2H]- 286.976036 159.4
[M]+ 266.00082142 156.1
[M]- 266.00191858 156.1
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.