CID 165761435

Ethyl2-(2,5-dibromo-1-methyl-1h-imidazol-4-yl)acetate

Structural Information

Molecular Formula
C8H10Br2N2O2
SMILES
CCOC(=O)CC1=C(N(C(=N1)Br)C)Br
InChI
InChI=1S/C8H10Br2N2O2/c1-3-14-6(13)4-5-7(9)12(2)8(10)11-5/h3-4H2,1-2H3
InChIKey
LWUZHAWDBQUSQC-UHFFFAOYSA-N
Compound name
ethyl 2-(2,5-dibromo-1-methylimidazol-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.9109 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.91818 144.0
[M+Na]+ 346.90012 156.5
[M-H]- 322.90362 149.4
[M+NH4]+ 341.94472 162.3
[M+K]+ 362.87406 141.7
[M+H-H2O]+ 306.90816 151.4
[M+HCOO]- 368.90910 159.4
[M+CH3COO]- 382.92475 206.8
[M+Na-2H]- 344.88557 148.9
[M]+ 323.91035 180.8
[M]- 323.91145 180.8
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.