CID 248852

3,6-dibromopyridazine

Structural Information

Molecular Formula

C₄H₂Br₂N₂

SMILES

C1=CC(=NN=C1Br)Br

InChI

InChI=1S/C4H2Br2N2/c5-3-1-2-4(6)8-7-3/h1-2H

InChIKey

VQAFMTSSCUETHA-UHFFFAOYSA-N

Compound name

3,6-dibromopyridazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 670
Patents: 235.85847 Da
Monoisotopic Mass: 1.9
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]+	236.86575	135.6
[M+Na]+	258.84769	131.7
[M+NH4]+	253.89229	137.9
[M+K]+	274.82163	138.1
[M-H]-	234.85119	136.1
[M+Na-2H]-	256.83314	138.4
[M]+	235.85792	134.1
[M]-	235.85902	134.1

Literature stripe

literature stripe

Patent stripe

patents stripe