CID 76850305

118872-73-4

Structural Information

Molecular Formula

C₇H₅ClN₂S

SMILES

CC1=NC2=C(S1)C=CC(=N2)Cl

InChI

InChI=1S/C7H5ClN2S/c1-4-9-7-5(11-4)2-3-6(8)10-7/h2-3H,1H3

InChIKey

KJBDQSQBKHFXAR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.98619 Da
Monoisotopic Mass: 3.0
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]+	184.99347	132.9
[M+Na]+	206.97541	148.8
[M+NH4]+	202.02001	143.4
[M+K]+	222.94935	140.5
[M-H]-	182.97891	135.5
[M+Na-2H]-	204.96086	140.3
[M]+	183.98564	136.8
[M]-	183.98674	136.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.