CID 72207281

Methyl 3,6-dichloro-5-methylpyridazine-4-carboxylate

Structural Information

Molecular Formula
C7H6Cl2N2O2
SMILES
CC1=C(C(=NN=C1Cl)Cl)C(=O)OC
InChI
InChI=1S/C7H6Cl2N2O2/c1-3-4(7(12)13-2)6(9)11-10-5(3)8/h1-2H3
InChIKey
PYKFCNHSDFTGQE-UHFFFAOYSA-N
Compound name
methyl 3,6-dichloro-5-methylpyridazine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

219.98064 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.98792 139.8
[M+Na]+ 242.96986 154.8
[M+NH4]+ 238.01446 147.4
[M+K]+ 258.94380 148.5
[M-H]- 218.97336 140.1
[M+Na-2H]- 240.95531 146.2
[M]+ 219.98009 142.5
[M]- 219.98119 142.5
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

No patent data available for this compound.