CID 668892

3',4'-dichloronicotinanilide

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 153.7
[M+Na]+ 288.99059 163.4
[M-H]- 264.99409 158.6
[M+NH4]+ 284.03519 169.9
[M+K]+ 304.96453 157.1
[M+H-H2O]+ 248.99863 147.0
[M+HCOO]- 310.99957 168.1
[M+CH3COO]- 325.01522 195.4
[M+Na-2H]- 286.97604 159.4
[M]+ 266.00082 156.1
[M]- 266.00192 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

literature stripe

Patent stripe

patents stripe