CID 21702089

359794-51-7

Structural Information

Molecular Formula

C₆H₄BrClN₂O

SMILES

C1=CC(=NN=C1C(=O)CBr)Cl

InChI

InChI=1S/C6H4BrClN2O/c7-3-5(11)4-1-2-6(8)10-9-4/h1-2H,3H2

InChIKey

NJUDUAHNKPDSCV-UHFFFAOYSA-N

Compound name

2-bromo-1-(6-chloropyridazin-3-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 233.91956 Da
Monoisotopic Mass: 1.6
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]+	234.926836	132.3
[M+Na]+	256.908778	146.0
[M-H]-	232.912284	136.4
[M+NH4]+	251.953383	152.3
[M+K]+	272.882718	134.0
[M+H-H2O]+	216.916820	132.5
[M+HCOO]-	278.917761	148.0
[M+CH3COO]-	292.933411	185.0
[M+Na-2H]-	254.894226	141.4
[M]+	233.91901142	153.1
[M]-	233.92010858	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe