CID 46835613

883876-21-9

Structural Information

Molecular Formula

C₅H₄Br₂N₂O₂

SMILES

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

InChI

InChI=1S/C5H4Br2N2O2/c1-11-4(10)2-3(6)9-5(7)8-2/h1H3,(H,8,9)

InChIKey

GZZUUHHVKJJFKF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 281.86395 Da
Monoisotopic Mass: 2.3
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]+	282.87123	133.8
[M+Na]+	304.85317	146.2
[M-H]-	280.85667	138.2
[M+NH4]+	299.89777	152.6
[M+K]+	320.82711	131.3
[M+H-H2O]+	264.86121	141.6
[M+HCOO]-	326.86215	148.9
[M+CH3COO]-	340.87780	197.2
[M+Na-2H]-	302.83862	140.1
[M]+	281.86340	168.1
[M]-	281.86450	168.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe