CID 795027

313960-06-4

Structural Information

Molecular Formula

C₁₀H₉ClN₂S

SMILES

C1=CC(=CC(=C1)Cl)CC2=CN=C(S2)N

InChI

InChI=1S/C10H9ClN2S/c11-8-3-1-2-7(4-8)5-9-6-13-10(12)14-9/h1-4,6H,5H2,(H2,12,13)

InChIKey

TWPTUTQCRHZBBC-UHFFFAOYSA-N

Compound name

5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 58
Patents: 224.0175 Da
Monoisotopic Mass: 3.2
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]+	225.02478	145.8
[M+Na]+	247.00672	159.7
[M+NH4]+	242.05132	155.8
[M+K]+	262.98066	151.5
[M-H]-	223.01022	150.6
[M+Na-2H]-	244.99217	154.1
[M]+	224.01695	149.9
[M]-	224.01805	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe