CID 312392

4-bromo-5-chloro-1h-imidazole

Structural Information

Molecular Formula

C₃H₂BrClN₂

SMILES

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

InChI

InChI=1S/C3H2BrClN2/c4-2-3(5)7-1-6-2/h1H,(H,6,7)

InChIKey

KRHIYYYHTXGSDW-UHFFFAOYSA-N

Compound name

4-bromo-5-chloro-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 179.909 Da
Monoisotopic Mass: 2.0
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]+	180.91628	123.5
[M+Na]+	202.89822	138.2
[M-H]-	178.90172	126.5
[M+NH4]+	197.94282	146.7
[M+K]+	218.87216	125.9
[M+H-H2O]+	162.90626	124.1
[M+HCOO]-	224.90720	139.9
[M+CH3COO]-	238.92285	172.5
[M+Na-2H]-	200.88367	132.0
[M]+	179.90845	141.6
[M]-	179.90955	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe