CID 76850458

1206248-70-5

Structural Information

Molecular Formula

C₆H₂BrClN₂S

SMILES

C1=CN=C(C2=C1SC(=N2)Br)Cl

InChI

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

InChIKey

WZLFNVNDNFMBCG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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	128.9
[M+Na]+	270.87028	147.1
[M-H]-	246.87378	135.5
[M+NH4]+	265.91488	152.8
[M+K]+	286.84422	134.2
[M+H-H2O]+	230.87832	130.8
[M+HCOO]-	292.87926	142.9
[M+CH3COO]-	306.89491	146.4
[M+Na-2H]-	268.85573	137.2
[M]+	247.88051	153.4
[M]-	247.88161	153.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.