CID 9568694

2,5-cyclohexadiene-1,4-diimine, 2-chloro-n,n'-dibromo-

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

1
References

0
Patents

295.83514 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.