CID 820667

114333-03-8

Structural Information

Molecular Formula

C₅H₅ClN₂O₂

SMILES

COC1=CC(=O)NN=C1Cl

InChI

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

InChIKey

FYTFUYWXLRXRAZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 160.00395 Da
Monoisotopic Mass: 0.5
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]+	161.01123	126.1
[M+Na]+	182.99317	140.5
[M+NH4]+	178.03777	133.8
[M+K]+	198.96711	134.7
[M-H]-	158.99667	126.3
[M+Na-2H]-	180.97862	133.0
[M]+	160.00340	128.4
[M]-	160.00450	128.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe