CID 124222528

4,5-dibromo-1-ethyl-1h-imidazole-2-carbaldehyde

Structural Information

Molecular Formula
C6H6Br2N2O
SMILES
CCN1C(=NC(=C1Br)Br)C=O
InChI
InChI=1S/C6H6Br2N2O/c1-2-10-4(3-11)9-5(7)6(10)8/h3H,2H2,1H3
InChIKey
JUZMDIWVKURVFF-UHFFFAOYSA-N
Compound name
4,5-dibromo-1-ethylimidazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.8847 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.89198 132.8
[M+Na]+ 302.87392 146.4
[M-H]- 278.87742 138.4
[M+NH4]+ 297.91852 152.6
[M+K]+ 318.84786 131.4
[M+H-H2O]+ 262.88196 140.7
[M+HCOO]- 324.88290 149.4
[M+CH3COO]- 338.89855 200.7
[M+Na-2H]- 300.85937 139.6
[M]+ 279.88415 168.6
[M]- 279.88525 168.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.