CID 76441

Brompyrazon

Structural Information

Molecular Formula

C₁₀H₈BrN₃O

SMILES

C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)N)Br

InChI

InChI=1S/C10H8BrN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2

InChIKey

ODNZLRLWXRXPOH-UHFFFAOYSA-N

Compound name

5-amino-4-bromo-2-phenylpyridazin-3-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5638
Patents: 264.98508 Da
Monoisotopic Mass: 1.5
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]+	265.99236	147.9
[M+Na]+	287.97430	153.3
[M+NH4]+	283.01890	152.2
[M+K]+	303.94824	152.8
[M-H]-	263.97780	150.0
[M+Na-2H]-	285.95975	153.8
[M]+	264.98453	148.1
[M]-	264.98563	148.1

Literature stripe

literature stripe

Patent stripe

patents stripe