CID 58579707

1322752-29-3

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	132.1
[M+Na]+	224.93183	146.6
[M-H]-	200.93533	134.3
[M+NH4]+	219.97643	153.4
[M+K]+	240.90577	139.7
[M+H-H2O]+	184.93987	128.4
[M+HCOO]-	246.94081	140.7
[M+CH3COO]-	260.95646	146.2
[M+Na-2H]-	222.91728	135.3
[M]+	201.94206	136.4
[M]-	201.94316	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe