CID 947825

Dtxsid301124335

Structural Information

Molecular Formula
C12H8Cl2N4O2
SMILES
C1=CC(=C(C=C1Cl)Cl)C=NNC(=O)C2=NNC(=O)C=C2
InChI
InChI=1S/C12H8Cl2N4O2/c13-8-2-1-7(9(14)5-8)6-15-18-12(20)10-3-4-11(19)17-16-10/h1-6H,(H,17,19)(H,18,20)
InChIKey
KYZSUUDSAOZSRO-UHFFFAOYSA-N
Compound name
N-[(2,4-dichlorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.00244 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.00972 164.3
[M+Na]+ 332.99166 174.3
[M-H]- 308.99516 168.2
[M+NH4]+ 328.03626 177.1
[M+K]+ 348.96560 167.4
[M+H-H2O]+ 292.99970 156.4
[M+HCOO]- 355.00064 178.9
[M+CH3COO]- 369.01629 204.2
[M+Na-2H]- 330.97711 169.7
[M]+ 310.00189 166.7
[M]- 310.00299 166.7
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.