CID 222925

4,7-dichloro-1-methyl-1h-imidazo[4,5-d]pyridazine

Structural Information

Molecular Formula
C6H4Cl2N4
SMILES
CN1C=NC2=C1C(=NN=C2Cl)Cl
InChI
InChI=1S/C6H4Cl2N4/c1-12-2-9-3-4(12)6(8)11-10-5(3)7/h2H,1H3
InChIKey
RXKXGWDOSOWALX-UHFFFAOYSA-N
Compound name
4,7-dichloro-3-methylimidazo[4,5-d]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

201.98131 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.98859 135.5
[M+Na]+ 224.97053 150.1
[M-H]- 200.97403 134.8
[M+NH4]+ 220.01513 153.9
[M+K]+ 240.94447 144.8
[M+H-H2O]+ 184.97857 127.8
[M+HCOO]- 246.97951 147.4
[M+CH3COO]- 260.99516 149.1
[M+Na-2H]- 222.95598 142.7
[M]+ 201.98076 140.6
[M]- 201.98186 140.6
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