CID 9568691

16383-62-3

Structural Information

Molecular Formula

C₆H₃Cl₂N₃O₂

SMILES

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

InChI

InChI=1S/C6H3Cl2N3O2/c7-9-4-1-2-5(10-8)6(3-4)11(12)13/h1-3H/b9-4+,10-5+

InChIKey

ORWDXWWPKIWJHP-LUZURFALSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 218.96024 Da
Monoisotopic Mass: 2.5
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]+	219.96752	138.3
[M+Na]+	241.94946	152.2
[M+NH4]+	236.99406	147.1
[M+K]+	257.92340	147.2
[M-H]-	217.95296	142.9
[M+Na-2H]-	239.93491	145.6
[M]+	218.95969	141.9
[M]-	218.96079	141.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.