CID 163784

108287-80-5

Structural Information

Molecular Formula

C₈H₉BrCl₂N₂

SMILES

CC(C)(CBr)C1=CC(=NN=C1Cl)Cl

InChI

InChI=1S/C8H9BrCl2N2/c1-8(2,4-9)5-3-6(10)12-13-7(5)11/h3H,4H2,1-2H3

InChIKey

CJWXEEPLGDEHCW-UHFFFAOYSA-N

Compound name

4-(1-bromo-2-methylpropan-2-yl)-3,6-dichloropyridazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 281.93262 Da
Monoisotopic Mass: 3.7
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]+	282.939896	145.8
[M+Na]+	304.921838	160.4
[M-H]-	280.925344	149.4
[M+NH4]+	299.966443	164.9
[M+K]+	320.895778	146.6
[M+H-H2O]+	264.929880	146.4
[M+HCOO]-	326.930821	154.9
[M+CH3COO]-	340.946471	194.5
[M+Na-2H]-	302.907286	153.9
[M]+	281.93207142	167.3
[M]-	281.93316858	167.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe