CID 57786789

4,6-dichloropyridazin-3-amine

Structural Information

Molecular Formula
C4H3Cl2N3
SMILES
C1=C(C(=NN=C1Cl)N)Cl
InChI
InChI=1S/C4H3Cl2N3/c5-2-1-3(6)8-9-4(2)7/h1H,(H2,7,9)
InChIKey
KHWQTMSISRCANV-UHFFFAOYSA-N
Compound name
4,6-dichloropyridazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

162.9704 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.977676 126.0
[M+Na]+ 185.959618 137.5
[M-H]- 161.963124 126.3
[M+NH4]+ 181.004223 145.1
[M+K]+ 201.933558 132.9
[M+H-H2O]+ 145.967660 120.7
[M+HCOO]- 207.968601 140.0
[M+CH3COO]- 221.984251 176.7
[M+Na-2H]- 183.945066 133.4
[M]+ 162.96985142 126.7
[M]- 162.97094858 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

No literature data available for this compound.

Patent stripe

patents stripe