CID 619976

Ethyl 2,4-dibromo-1h-imidazole-5-carboxylate

Structural Information

Molecular Formula

C₆H₆Br₂N₂O₂

SMILES

CCOC(=O)C1=C(NC(=N1)Br)Br

InChI

InChI=1S/C6H6Br2N2O2/c1-2-12-5(11)3-4(7)10-6(8)9-3/h2H2,1H3,(H,9,10)

InChIKey

AIKWQIDGBPGVEV-UHFFFAOYSA-N

Compound name

ethyl 2,5-dibromo-1H-imidazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 295.8796 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	296.88688	137.9
[M+Na]+	318.86882	149.9
[M-H]-	294.87232	142.2
[M+NH4]+	313.91342	156.3
[M+K]+	334.84276	134.9
[M+H-H2O]+	278.87686	145.5
[M+HCOO]-	340.87780	152.7
[M+CH3COO]-	354.89345	199.5
[M+Na-2H]-	316.85427	143.7
[M]+	295.87905	172.4
[M]-	295.88015	172.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe