CID 95827

5-amino-4-chloropyridazin-3(2h)-one

Structural Information

Molecular Formula

C₄H₄ClN₃O

SMILES

C1=NNC(=O)C(=C1N)Cl

InChI

InChI=1S/C4H4ClN3O/c5-3-2(6)1-7-8-4(3)9/h1H,(H3,6,8,9)

InChIKey

FEWPCPCEGBPTAL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 26
Patents: 145.00429 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]+	146.01157	123.3
[M+Na]+	167.99351	134.5
[M-H]-	143.99701	123.2
[M+NH4]+	163.03811	142.1
[M+K]+	183.96745	130.2
[M+H-H2O]+	128.00155	117.7
[M+HCOO]-	190.00249	141.5
[M+CH3COO]-	204.01814	170.5
[M+Na-2H]-	165.97896	131.0
[M]+	145.00374	122.1
[M]-	145.00484	122.1

Literature stripe

literature stripe

Patent stripe

patents stripe