CID 472916

Akos005144932

Structural Information

Molecular Formula

C₁₁H₆BrClN₂S

SMILES

C1=CC(=CC=C1C2=CN3C=C(SC3=N2)Cl)Br

InChI

InChI=1S/C11H6BrClN2S/c12-8-3-1-7(2-4-8)9-5-15-6-10(13)16-11(15)14-9/h1-6H

InChIKey

AZINLHGGNTYCKX-UHFFFAOYSA-N

Compound name

6-(4-bromophenyl)-2-chloroimidazo[2,1-b][1,3]thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 311.91235 Da
Monoisotopic Mass: 5.2
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]+	312.91963	152.2
[M+Na]+	334.90157	170.6
[M-H]-	310.90507	162.3
[M+NH4]+	329.94617	175.4
[M+K]+	350.87551	157.4
[M+H-H2O]+	294.90961	153.7
[M+HCOO]-	356.91055	167.0
[M+CH3COO]-	370.92620	169.0
[M+Na-2H]-	332.88702	156.5
[M]+	311.91180	177.4
[M]-	311.91290	177.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.