CID 21643

3-amino-6-chloropyridazine

Structural Information

Molecular Formula
C4H4ClN3
SMILES
C1=CC(=NN=C1N)Cl
InChI
InChI=1S/C4H4ClN3/c5-3-1-2-4(6)8-7-3/h1-2H,(H2,6,8)
InChIKey
DTXVKPOKPFWSFF-UHFFFAOYSA-N
Compound name
6-chloropyridazin-3-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2796
Patents

129.00937 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.01665 119.5
[M+Na]+ 151.99859 133.6
[M+NH4]+ 147.04319 128.4
[M+K]+ 167.97253 127.2
[M-H]- 128.00209 121.4
[M+Na-2H]- 149.98404 127.8
[M]+ 129.00882 122.2
[M]- 129.00992 122.2
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