CID 72207512

1159828-95-1

Structural Information

Molecular Formula

C₆H₃ClN₂S

SMILES

C1=CN=C(C2=C1N=CS2)Cl

InChI

InChI=1S/C6H3ClN2S/c7-6-5-4(1-2-8-6)9-3-10-5/h1-3H

InChIKey

KYXFVXOEMXFSKJ-UHFFFAOYSA-N

Compound name

4-chloro-[1,3]thiazolo[5,4-c]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 169.97055 Da
Monoisotopic Mass: 1.8
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]+	170.977826	126.6
[M+Na]+	192.959768	140.3
[M-H]-	168.963274	129.9
[M+NH4]+	188.004373	149.4
[M+K]+	208.933708	135.9
[M+H-H2O]+	152.967810	121.4
[M+HCOO]-	214.968751	142.1
[M+CH3COO]-	228.984401	141.9
[M+Na-2H]-	190.945216	133.3
[M]+	169.97000142	132.1
[M]-	169.97109858	132.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe