CID 58470319

960535-44-8

Structural Information

Molecular Formula

C₆H₂BrClN₂S

SMILES

C1=C(C=NC2=C1SC(=N2)Cl)Br

InChI

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

InChIKey

QKBMJZODSYDEFC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 155
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]+	248.888336	128.9
[M+Na]+	270.870278	147.1
[M-H]-	246.873784	135.5
[M+NH4]+	265.914883	152.8
[M+K]+	286.844218	134.2
[M+H-H2O]+	230.878320	130.8
[M+HCOO]-	292.879261	142.9
[M+CH3COO]-	306.894911	146.4
[M+Na-2H]-	268.855726	137.2
[M]+	247.88051142	153.4
[M]-	247.88160858	153.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe