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: 38
Patents: 219.98064 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	220.987916	137.2
[M+Na]+	242.969858	149.2
[M-H]-	218.973364	138.3
[M+NH4]+	238.014463	154.9
[M+K]+	258.943798	145.3
[M+H-H2O]+	202.977900	131.8
[M+HCOO]-	264.978841	149.6
[M+CH3COO]-	278.994491	186.0
[M+Na-2H]-	240.955306	142.1
[M]+	219.98009142	142.6
[M]-	219.98118858	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe