CID 6403201

3,5-dichloro-1,4-dihydropyridazin-4-imine

Structural Information

Molecular Formula
C4H3Cl2N3
SMILES
C1=C(C(=C(N=N1)Cl)N)Cl
InChI
InChI=1S/C4H3Cl2N3/c5-2-1-8-9-4(6)3(2)7/h1H,(H2,7,8)
InChIKey
RPFJGTZUJUOCCL-UHFFFAOYSA-N
Compound name
3,5-dichloropyridazin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

127
Patents

162.9704 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.97768 126.0
[M+Na]+ 185.95962 137.5
[M-H]- 161.96312 126.3
[M+NH4]+ 181.00422 145.1
[M+K]+ 201.93356 132.9
[M+H-H2O]+ 145.96766 120.7
[M+HCOO]- 207.96860 140.0
[M+CH3COO]- 221.98425 176.7
[M+Na-2H]- 183.94507 133.4
[M]+ 162.96985 126.7
[M]- 162.97095 126.7
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