CID 203396

14305-08-9

Structural Information

Molecular Formula

C₁₀H₆Br₂N₂O

SMILES

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

InChI

InChI=1S/C10H6Br2N2O/c11-8-6-13-14(10(15)9(8)12)7-4-2-1-3-5-7/h1-6H

InChIKey

NQJXEMRMTOSSBQ-UHFFFAOYSA-N

Compound name

4,5-dibromo-2-phenylpyridazin-3-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 18
Patents: 327.8847 Da
Monoisotopic Mass: 2.8
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]+	328.891976	139.3
[M+Na]+	350.873918	151.5
[M-H]-	326.877424	147.0
[M+NH4]+	345.918523	155.7
[M+K]+	366.847858	136.3
[M+H-H2O]+	310.881960	147.1
[M+HCOO]-	372.882901	155.3
[M+CH3COO]-	386.898551	153.8
[M+Na-2H]-	348.859366	148.3
[M]+	327.88415142	174.1
[M]-	327.88524858	174.1

Literature stripe

literature stripe

Patent stripe

patents stripe