CID 9568693

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

Structural Information

Molecular Formula
C7H6Br2N2O
SMILES
COC\1=C/C(=N/Br)/C=C/C1=N\Br
InChI
InChI=1S/C7H6Br2N2O/c1-12-7-4-5(10-8)2-3-6(7)11-9/h2-4H,1H3/b10-5+,11-6+
InChIKey
JWIJZVGXGSQZDI-YOYBCKCWSA-N
Compound name
1-N,4-N-dibromo-2-methoxycyclohexa-2,5-diene-1,4-diimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.8847 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.89198 136.2
[M+Na]+ 314.87392 146.8
[M-H]- 290.87742 144.9
[M+NH4]+ 309.91852 156.0
[M+K]+ 330.84786 131.7
[M+H-H2O]+ 274.88196 142.4
[M+HCOO]- 336.88290 156.2
[M+CH3COO]- 350.89855 207.8
[M+Na-2H]- 312.85937 144.7
[M]+ 291.88415 170.2
[M]- 291.88525 170.2
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.