CID 55266315

1909335-99-4

Structural Information

Molecular Formula

C₄H₃BrN₂O₂

SMILES

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

InChI

InChI=1S/C4H3BrN2O2/c5-2-1-6-3(7-2)4(8)9/h1H,(H,6,7)(H,8,9)

InChIKey

ZLWMWGLWSFVWIW-UHFFFAOYSA-N

Compound name

5-bromo-1H-imidazole-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 189.93779 Da
Monoisotopic Mass: 0.9
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]+	190.94507	128.6
[M+Na]+	212.92701	141.2
[M-H]-	188.93051	130.4
[M+NH4]+	207.97161	149.6
[M+K]+	228.90095	130.5
[M+H-H2O]+	172.93505	128.5
[M+HCOO]-	234.93599	147.3
[M+CH3COO]-	248.95164	172.9
[M+Na-2H]-	210.91246	135.2
[M]+	189.93724	145.2
[M]-	189.93834	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe