CID 169654626

4,7-dichloro-1-methyl-1h-pyrrolo[2,3-d]pyridazine

Structural Information

Molecular Formula
C7H5Cl2N3
SMILES
CN1C=CC2=C1C(=NN=C2Cl)Cl
InChI
InChI=1S/C7H5Cl2N3/c1-12-3-2-4-5(12)7(9)11-10-6(4)8/h2-3H,1H3
InChIKey
CFKAUAPMDMLHHW-UHFFFAOYSA-N
Compound name
4,7-dichloro-1-methylpyrrolo[2,3-d]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

200.98605 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.99333 135.8
[M+Na]+ 223.97527 150.1
[M-H]- 199.97877 136.5
[M+NH4]+ 219.01987 155.7
[M+K]+ 239.94921 144.5
[M+H-H2O]+ 183.98331 129.1
[M+HCOO]- 245.98425 148.9
[M+CH3COO]- 259.99990 149.8
[M+Na-2H]- 221.96072 142.7
[M]+ 200.98550 141.0
[M]- 200.98660 141.0
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