CID 121229268

857970-66-2

Structural Information

Molecular Formula

C₆H₂Cl₂N₂S

SMILES

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

InChI

InChI=1S/C6H2Cl2N2S/c7-4-2-1-3-5(10-4)11-6(8)9-3/h1-2H

InChIKey

KOZXLWYJVRDWPI-UHFFFAOYSA-N

Compound name

2,5-dichloro-[1,3]thiazolo[5,4-b]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 203.93158 Da
Monoisotopic Mass: 3.6
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]+	204.93886	133.1
[M+Na]+	226.92080	147.5
[M-H]-	202.92430	135.9
[M+NH4]+	221.96540	154.9
[M+K]+	242.89474	142.1
[M+H-H2O]+	186.92884	128.5
[M+HCOO]-	248.92978	143.1
[M+CH3COO]-	262.94543	147.7
[M+Na-2H]-	224.90625	138.1
[M]+	203.93103	139.5
[M]-	203.93213	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.