CID 14244857

2-[(2-chlorophenyl)sulfanyl]ethan-1-amine

Structural Information

Molecular Formula

C₈H₁₀ClNS

SMILES

C1=CC=C(C(=C1)SCCN)Cl

InChI

InChI=1S/C8H10ClNS/c9-7-3-1-2-4-8(7)11-6-5-10/h1-4H,5-6,10H2

InChIKey

LVNUIAXDEGLQCX-UHFFFAOYSA-N

Compound name

2-(2-chlorophenyl)sulfanylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 187.02225 Da
Monoisotopic Mass: 2.1
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]+	188.029526	135.4
[M+Na]+	210.011468	144.2
[M-H]-	186.014974	138.9
[M+NH4]+	205.056073	156.3
[M+K]+	225.985408	139.2
[M+H-H2O]+	170.019510	130.8
[M+HCOO]-	232.020451	150.7
[M+CH3COO]-	246.036101	181.3
[M+Na-2H]-	207.996916	138.9
[M]+	187.02170142	137.5
[M]-	187.02279858	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe