CID 248667

6959-56-4

Structural Information

Molecular Formula

C₄H₅ClN₄O

SMILES

C1=NNC(=O)C(=C1NN)Cl

InChI

InChI=1S/C4H5ClN4O/c5-3-2(8-6)1-7-9-4(3)10/h1H,6H2,(H2,8,9,10)

InChIKey

OIGROUYSAFLMAO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 160.01518 Da
Monoisotopic Mass: -0.4
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]+	161.02246	127.7
[M+Na]+	183.00440	137.9
[M-H]-	159.00790	127.5
[M+NH4]+	178.04900	145.5
[M+K]+	198.97834	133.5
[M+H-H2O]+	143.01244	121.6
[M+HCOO]-	205.01338	146.9
[M+CH3COO]-	219.02903	175.7
[M+Na-2H]-	180.98985	135.7
[M]+	160.01463	125.7
[M]-	160.01573	125.7

Literature stripe

literature stripe

Patent stripe

patents stripe