CID 9568694

90932-84-6

Structural Information

Molecular Formula

C₆H₃Br₂ClN₂

SMILES

C\1=C/C(=N\Br)/C(=C/C1=N/Br)Cl

InChI

InChI=1S/C6H3Br2ClN2/c7-10-4-1-2-6(11-8)5(9)3-4/h1-3H/b10-4+,11-6+

InChIKey

SVLAFNKYGUOHNS-MCIRJAFSSA-N

Compound name

1-N,4-N-dibromo-2-chlorocyclohexa-2,5-diene-1,4-diimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 295.83514 Da
Monoisotopic Mass: 3.5
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]+	296.84242	136.9
[M+Na]+	318.82436	149.1
[M-H]-	294.82786	145.7
[M+NH4]+	313.86896	157.5
[M+K]+	334.79830	132.0
[M+H-H2O]+	278.83240	144.1
[M+HCOO]-	340.83334	153.4
[M+CH3COO]-	354.84899	206.9
[M+Na-2H]-	316.80981	145.5
[M]+	295.83459	171.0
[M]-	295.83569	171.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.