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 137.2
[M+Na]+ 242.96986 149.2
[M-H]- 218.97336 138.3
[M+NH4]+ 238.01446 154.9
[M+K]+ 258.94380 145.3
[M+H-H2O]+ 202.97790 131.8
[M+HCOO]- 264.97884 149.6
[M+CH3COO]- 278.99449 186.0
[M+Na-2H]- 240.95531 142.1
[M]+ 219.98009 142.6
[M]- 219.98119 142.6
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