CID 675261

4-(3-chlorophenyl)thiazol-2-amine

Structural Information

Molecular Formula

C₉H₇ClN₂S

SMILES

C1=CC(=CC(=C1)Cl)C2=CSC(=N2)N

InChI

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

InChIKey

QSEDBGULKWHVNE-UHFFFAOYSA-N

Compound name

4-(3-chlorophenyl)-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 86
Patents: 210.00185 Da
Monoisotopic Mass: 2.9
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	141.3
[M+Na]+	232.99107	155.5
[M+NH4]+	228.03567	151.5
[M+K]+	248.96501	147.5
[M-H]-	208.99457	146.2
[M+Na-2H]-	230.97652	149.8
[M]+	210.00130	145.5
[M]-	210.00240	145.5

Literature stripe

literature stripe

Patent stripe

patents stripe