CID 819793

4-chloro-5-methoxy-3(2h)-pyridazinone

Structural Information

Molecular Formula

C₅H₅ClN₂O₂

SMILES

COC1=C(C(=O)NN=C1)Cl

InChI

InChI=1S/C5H5ClN2O2/c1-10-3-2-7-8-5(9)4(3)6/h2H,1H3,(H,8,9)

InChIKey

SUZFURZANOKZBL-UHFFFAOYSA-N

Compound name

5-chloro-4-methoxy-1H-pyridazin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 35
Patents: 160.00395 Da
Monoisotopic Mass: 0.3
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]+	161.011226	125.0
[M+Na]+	182.993168	136.5
[M-H]-	158.996674	125.3
[M+NH4]+	178.037773	143.8
[M+K]+	198.967108	133.0
[M+H-H2O]+	143.001210	119.4
[M+HCOO]-	205.002151	142.8
[M+CH3COO]-	219.017801	171.4
[M+Na-2H]-	180.978616	133.1
[M]+	160.00340142	127.3
[M]-	160.00449858	127.3

Literature stripe

literature stripe

Patent stripe

patents stripe