CID 12116492

488742-51-4

Structural Information

Molecular Formula

C₇H₅ClN₂S₂

SMILES

CSC1=NC2=C(S1)C=C(C=N2)Cl

InChI

InChI=1S/C7H5ClN2S2/c1-11-7-10-6-5(12-7)2-4(8)3-9-6/h2-3H,1H3

InChIKey

JJAFBJJBTOYNTC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 215.95827 Da
Monoisotopic Mass: 3.1
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]+	216.96555	140.2
[M+Na]+	238.94749	155.2
[M+NH4]+	233.99209	150.8
[M+K]+	254.92143	145.0
[M-H]-	214.95099	142.9
[M+Na-2H]-	236.93294	146.3
[M]+	215.95772	144.5
[M]-	215.95882	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe