CID 3532154

1803595-34-7

Structural Information

Molecular Formula

C₁₀H₉ClN₂OS

SMILES

C1=CC(=CC=C1OCC2=CSC(=N2)N)Cl

InChI

InChI=1S/C10H9ClN2OS/c11-7-1-3-9(4-2-7)14-5-8-6-15-10(12)13-8/h1-4,6H,5H2,(H2,12,13)

InChIKey

ITWPIFDUTSFMLN-UHFFFAOYSA-N

Compound name

4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 0
Patents: 240.0124 Da
Monoisotopic Mass: 2.7
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]+	241.01968	148.6
[M+Na]+	263.00162	159.2
[M-H]-	239.00512	154.5
[M+NH4]+	258.04622	168.0
[M+K]+	278.97556	153.8
[M+H-H2O]+	223.00966	142.5
[M+HCOO]-	285.01060	164.8
[M+CH3COO]-	299.02625	162.0
[M+Na-2H]-	260.98707	150.7
[M]+	240.01185	152.4
[M]-	240.01295	152.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.