CID 66664860

1196151-70-8

Structural Information

Molecular Formula

C₆H₂BrClN₂S

SMILES

C1=C(C=NC2=C1N=C(S2)Cl)Br

InChI

InChI=1S/C6H2BrClN2S/c7-3-1-4-5(9-2-3)11-6(8)10-4/h1-2H

InChIKey

BMHFKZSCFLPSPX-UHFFFAOYSA-N

Compound name

6-bromo-2-chloro-[1,3]thiazolo[5,4-b]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 247.88106 Da
Monoisotopic Mass: 3.3
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]+	248.88834	132.7
[M+Na]+	270.87028	138.9
[M+NH4]+	265.91488	139.4
[M+K]+	286.84422	137.5
[M-H]-	246.87378	133.7
[M+Na-2H]-	268.85573	137.4
[M]+	247.88051	133.5
[M]-	247.88161	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe