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

7
Patents

218.00137 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.008646 140.5
[M+Na]+ 240.990588 150.7
[M-H]- 216.994094 144.1
[M+NH4]+ 236.035193 159.8
[M+K]+ 256.964528 147.2
[M+H-H2O]+ 200.998630 135.5
[M+HCOO]- 262.999571 155.4
[M+CH3COO]- 277.015221 191.3
[M+Na-2H]- 238.976036 145.1
[M]+ 218.00082142 144.9
[M]- 218.00191858 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