CID 262049

3,6-dichloropyridazine-4-carboxamide

Structural Information

Molecular Formula
C5H3Cl2N3O
SMILES
C1=C(C(=NN=C1Cl)Cl)C(=O)N
InChI
InChI=1S/C5H3Cl2N3O/c6-3-1-2(5(8)11)4(7)10-9-3/h1H,(H2,8,11)
InChIKey
NXVUUPORAZUSGG-UHFFFAOYSA-N
Compound name
3,6-dichloropyridazine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

190.96532 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.97260 131.8
[M+Na]+ 213.95454 142.9
[M-H]- 189.95804 132.3
[M+NH4]+ 208.99914 149.7
[M+K]+ 229.92848 138.4
[M+H-H2O]+ 173.96258 126.4
[M+HCOO]- 235.96352 145.1
[M+CH3COO]- 249.97917 181.7
[M+Na-2H]- 211.93999 137.6
[M]+ 190.96477 133.1
[M]- 190.96587 133.1
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

patents stripe