CID 9568692

90932-85-7

Structural Information

Molecular Formula
C7H6Br2N2
SMILES
CC\1=C/C(=N/Br)/C=C/C1=N\Br
InChI
InChI=1S/C7H6Br2N2/c1-5-4-6(10-8)2-3-7(5)11-9/h2-4H,1H3/b10-6+,11-7+
InChIKey
MJDSYTLERJVQDQ-JMQWPVDRSA-N
Compound name
1-N,4-N-dibromo-2-methylcyclohexa-2,5-diene-1,4-diimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.88977 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.89705 134.3
[M+Na]+ 298.87899 145.1
[M-H]- 274.88249 143.1
[M+NH4]+ 293.92359 154.7
[M+K]+ 314.85293 129.7
[M+H-H2O]+ 258.88703 140.8
[M+HCOO]- 320.88797 154.2
[M+CH3COO]- 334.90362 206.3
[M+Na-2H]- 296.86444 142.9
[M]+ 275.88922 167.3
[M]- 275.89032 167.3
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.