CID 2120100

2-[4-(chloromethyl)-1,3-thiazol-2-yl]pyridine

Structural Information

Molecular Formula

C₉H₇ClN₂S

SMILES

C1=CC=NC(=C1)C2=NC(=CS2)CCl

InChI

InChI=1S/C9H7ClN2S/c10-5-7-6-13-9(12-7)8-3-1-2-4-11-8/h1-4,6H,5H2

InChIKey

VQPIMZRQQCTIHE-UHFFFAOYSA-N

Compound name

4-(chloromethyl)-2-pyridin-2-yl-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 210.00185 Da
Monoisotopic Mass: 2.0
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]+	211.00913	141.5
[M+Na]+	232.99107	156.7
[M+NH4]+	228.03567	151.6
[M+K]+	248.96501	148.0
[M-H]-	208.99457	145.4
[M+Na-2H]-	230.97652	150.5
[M]+	210.00130	145.6
[M]-	210.00240	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe