CID 2799717

150020-64-7

Structural Information

Molecular Formula

C₅H₂Cl₂N₂O₂S₂

SMILES

C1=CSC2=NC(=C(N21)S(=O)(=O)Cl)Cl

InChI

InChI=1S/C5H2Cl2N2O2S2/c6-3-4(13(7,10)11)9-1-2-12-5(9)8-3/h1-2H

InChIKey

APRATEMYDZDYJD-UHFFFAOYSA-N

Compound name

6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 355
Patents: 255.89348 Da
Monoisotopic Mass: 3.2
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]+	256.900756	151.1
[M+Na]+	278.882698	166.4
[M-H]-	254.886204	155.1
[M+NH4]+	273.927303	172.8
[M+K]+	294.856638	161.4
[M+H-H2O]+	238.890740	148.3
[M+HCOO]-	300.891681	156.2
[M+CH3COO]-	314.907331	164.9
[M+Na-2H]-	276.868146	152.3
[M]+	255.89293142	159.6
[M]-	255.89402858	159.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe