CID 466374

Schembl3637268

Structural Information

Molecular Formula

C₁₁H₆Cl₂N₂S

SMILES

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

InChI

InChI=1S/C11H6Cl2N2S/c12-8-3-1-7(2-4-8)9-5-15-6-10(13)16-11(15)14-9/h1-6H

InChIKey

ZIUZFYACYGONMS-UHFFFAOYSA-N

Compound name

2-chloro-6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 267.96286 Da
Monoisotopic Mass: 5.1
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]+	268.97014	155.8
[M+Na]+	290.95208	170.7
[M-H]-	266.95558	162.2
[M+NH4]+	285.99668	176.9
[M+K]+	306.92602	164.1
[M+H-H2O]+	250.96012	150.2
[M+HCOO]-	312.96106	166.6
[M+CH3COO]-	326.97671	169.8
[M+Na-2H]-	288.93753	156.8
[M]+	267.96231	163.3
[M]-	267.96341	163.3

Literature stripe

literature stripe

Patent stripe

patents stripe