CID 689073

50636-57-2

Structural Information

Molecular Formula

C₁₀H₇BrN₂O

SMILES

C1=CC(=CC=C1C2=NNC(=O)C=C2)Br

InChI

InChI=1S/C10H7BrN2O/c11-8-3-1-7(2-4-8)9-5-6-10(14)13-12-9/h1-6H,(H,13,14)

InChIKey

SXDHLGDAZQDUBI-UHFFFAOYSA-N

Compound name

3-(4-bromophenyl)-1H-pyridazin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 249.97418 Da
Monoisotopic Mass: 2.0
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]+	250.98146	143.9
[M+Na]+	272.96340	150.0
[M+NH4]+	268.00800	148.6
[M+K]+	288.93734	149.0
[M-H]-	248.96690	145.5
[M+Na-2H]-	270.94885	150.3
[M]+	249.97363	144.1
[M]-	249.97473	144.1

Literature stripe

literature stripe

Patent stripe

patents stripe