CID 49758189

13979-00-5

Structural Information

Molecular Formula

C₁₀H₇BrN₂O

SMILES

C1=CC(=O)N(N=C1)C2=CC=C(C=C2)Br

InChI

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

InChIKey

CZZZQYXJZMZUMC-UHFFFAOYSA-N

Compound name

2-(4-bromophenyl)pyridazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 249.97418 Da
Monoisotopic Mass: 1.7
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]+	250.981456	140.9
[M+Na]+	272.963398	154.1
[M-H]-	248.966904	148.1
[M+NH4]+	268.008003	159.3
[M+K]+	288.937338	142.5
[M+H-H2O]+	232.971440	139.6
[M+HCOO]-	294.972381	162.0
[M+CH3COO]-	308.988031	156.3
[M+Na-2H]-	270.948846	150.8
[M]+	249.97363142	159.9
[M]-	249.97472858	159.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe