CID 472917

Nsc740945

Structural Information

Molecular Formula

C₁₁H₄Cl₄N₂S

SMILES

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

InChI

InChI=1S/C11H4Cl4N2S/c12-6-2-1-5(9(14)10(6)15)7-3-17-4-8(13)18-11(17)16-7/h1-4H

InChIKey

LNPVXBUMVMIBCO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 335.88492 Da
Monoisotopic Mass: 6.4
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]+	336.89220	171.9
[M+Na]+	358.87414	186.6
[M-H]-	334.87764	175.5
[M+NH4]+	353.91874	189.7
[M+K]+	374.84808	179.9
[M+H-H2O]+	318.88218	166.8
[M+HCOO]-	380.88312	171.1
[M+CH3COO]-	394.89877	183.0
[M+Na-2H]-	356.85959	168.8
[M]+	335.88437	178.2
[M]-	335.88547	178.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.