CID 58579707

Schembl20679583

Structural Information

Molecular Formula

C₆H₃ClN₂S₂

SMILES

C1=C2C(=CN=C1Cl)NC(=S)S2

InChI

InChI=1S/C6H3ClN2S2/c7-5-1-4-3(2-8-5)9-6(10)11-4/h1-2H,(H,9,10)

InChIKey

IYZZEZJBZYCWRG-UHFFFAOYSA-N

Compound name

6-chloro-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 87
Patents: 201.94261 Da
Monoisotopic Mass: 2.2
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]+	202.94989	136.1
[M+Na]+	224.93183	150.8
[M+NH4]+	219.97643	146.2
[M+K]+	240.90577	141.0
[M-H]-	200.93533	138.2
[M+Na-2H]-	222.91728	141.7
[M]+	201.94206	140.1
[M]-	201.94316	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe