CID 11586522

4-bromo-6-chloro-2,3-dihydropyridazin-3-one

Structural Information

Molecular Formula

C₄H₂BrClN₂O

SMILES

C1=C(C(=O)NN=C1Cl)Br

InChI

InChI=1S/C4H2BrClN2O/c5-2-1-3(6)7-8-4(2)9/h1H,(H,8,9)

InChIKey

YUPQAGSTMGZXNO-UHFFFAOYSA-N

Compound name

5-bromo-3-chloro-1H-pyridazin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 241
Patents: 207.9039 Da
Monoisotopic Mass: 1.2
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]+	208.911176	124.1
[M+Na]+	230.893118	139.3
[M-H]-	206.896624	127.4
[M+NH4]+	225.937723	144.8
[M+K]+	246.867058	126.4
[M+H-H2O]+	190.901160	125.0
[M+HCOO]-	252.902101	139.9
[M+CH3COO]-	266.917751	177.3
[M+Na-2H]-	228.878566	134.1
[M]+	207.90335142	143.3
[M]-	207.90444858	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe