CID 9568695

90932-87-9

Structural Information

Molecular Formula

C₆H₃Br₂N₃O₂

SMILES

C\1=C/C(=N\Br)/C(=C/C1=N/Br)[N+](=O)[O-]

InChI

InChI=1S/C6H3Br2N3O2/c7-9-4-1-2-5(10-8)6(3-4)11(12)13/h1-3H/b9-4+,10-5+

InChIKey

XYDHHSBULUTVBH-LUZURFALSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 306.8592 Da
Monoisotopic Mass: 2.7
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]+	307.86648	156.7
[M+Na]+	329.84842	151.1
[M+NH4]+	324.89302	158.3
[M+K]+	345.82236	158.6
[M-H]-	305.85192	158.6
[M+Na-2H]-	327.83387	157.6
[M]+	306.85865	155.2
[M]-	306.85975	155.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.