CID 20115657

5,6-dichloro-n,n-dimethylpyridine-3-carboxamide

Structural Information

Molecular Formula
C8H8Cl2N2O
SMILES
CN(C)C(=O)C1=CC(=C(N=C1)Cl)Cl
InChI
InChI=1S/C8H8Cl2N2O/c1-12(2)8(13)5-3-6(9)7(10)11-4-5/h3-4H,1-2H3
InChIKey
NPXZDWHQMPNDEF-UHFFFAOYSA-N
Compound name
5,6-dichloro-N,N-dimethylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

218.00137 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.00865 140.5
[M+Na]+ 240.99059 150.7
[M-H]- 216.99409 144.1
[M+NH4]+ 236.03519 159.8
[M+K]+ 256.96453 147.2
[M+H-H2O]+ 200.99863 135.5
[M+HCOO]- 262.99957 155.4
[M+CH3COO]- 277.01522 191.3
[M+Na-2H]- 238.97604 145.1
[M]+ 218.00082 144.9
[M]- 218.00192 144.9
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

patents stripe