CID 13741013

3-chloro-4,5-dimethoxypyridazine

Structural Information

Molecular Formula

C₆H₇ClN₂O₂

SMILES

COC1=CN=NC(=C1OC)Cl

InChI

InChI=1S/C6H7ClN2O2/c1-10-4-3-8-9-6(7)5(4)11-2/h3H,1-2H3

InChIKey

AYYFMEBRLAAWOB-UHFFFAOYSA-N

Compound name

3-chloro-4,5-dimethoxypyridazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 174.0196 Da
Monoisotopic Mass: 0.7
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]+	175.026876	129.5
[M+Na]+	197.008818	140.8
[M-H]-	173.012324	131.0
[M+NH4]+	192.053423	148.5
[M+K]+	212.982758	138.6
[M+H-H2O]+	157.016860	123.3
[M+HCOO]-	219.017801	148.3
[M+CH3COO]-	233.033451	177.8
[M+Na-2H]-	194.994266	137.6
[M]+	174.01905142	134.8
[M]-	174.02014858	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe