CID 254097

3,4-dichloro-5-methoxypyridazine

Structural Information

Molecular Formula

C₅H₄Cl₂N₂O

SMILES

COC1=CN=NC(=C1Cl)Cl

InChI

InChI=1S/C5H4Cl2N2O/c1-10-3-2-8-9-5(7)4(3)6/h2H,1H3

InChIKey

OVZWGIFIQJWITB-UHFFFAOYSA-N

Compound name

3,4-dichloro-5-methoxypyridazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 177.97006 Da
Monoisotopic Mass: 1.4
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]+	178.97734	127.2
[M+Na]+	200.95928	139.1
[M-H]-	176.96278	128.0
[M+NH4]+	196.00388	146.3
[M+K]+	216.93322	135.3
[M+H-H2O]+	160.96732	121.8
[M+HCOO]-	222.96826	140.7
[M+CH3COO]-	236.98391	177.7
[M+Na-2H]-	198.94473	135.0
[M]+	177.96951	131.4
[M]-	177.97061	131.4

Literature stripe

literature stripe

Patent stripe

patents stripe