CID 12224497

1,4-dichloropyrido[4,3-d]pyridazine

Structural Information

Molecular Formula
C7H3Cl2N3
SMILES
C1=CN=CC2=C1C(=NN=C2Cl)Cl
InChI
InChI=1S/C7H3Cl2N3/c8-6-4-1-2-10-3-5(4)7(9)12-11-6/h1-3H
InChIKey
LMVNXZZDBBSCSG-UHFFFAOYSA-N
Compound name
1,4-dichloropyrido[3,4-d]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

198.9704 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.97768 133.4
[M+Na]+ 221.95962 145.9
[M-H]- 197.96312 133.3
[M+NH4]+ 217.00422 151.1
[M+K]+ 237.93356 140.3
[M+H-H2O]+ 181.96766 126.2
[M+HCOO]- 243.96860 144.4
[M+CH3COO]- 257.98425 146.4
[M+Na-2H]- 219.94507 143.1
[M]+ 198.96985 136.2
[M]- 198.97095 136.2
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