CID 72783

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

Structural Information

Molecular Formula
C6H4Br2N2
SMILES
C1=CC(=NBr)C=CC1=NBr
InChI
InChI=1S/C6H4Br2N2/c7-9-5-1-2-6(10-8)4-3-5/h1-4H
InChIKey
MQBZNSYRFPFFHP-UHFFFAOYSA-N
Compound name
1-N,4-N-dibromocyclohexa-2,5-diene-1,4-diimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.8741 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.88138 130.6
[M+Na]+ 284.86332 141.1
[M-H]- 260.86682 139.3
[M+NH4]+ 279.90792 151.3
[M+K]+ 300.83726 125.9
[M+H-H2O]+ 244.87136 137.3
[M+HCOO]- 306.87230 150.8
[M+CH3COO]- 320.88795 203.2
[M+Na-2H]- 282.84877 140.2
[M]+ 261.87355 163.1
[M]- 261.87465 163.1
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.