CID 18925404

1318073-64-1

Structural Information

Molecular Formula

C₁₀H₈ClNS

SMILES

C1=CC(=CC=C1C2=C(C=CS2)N)Cl

InChI

InChI=1S/C10H8ClNS/c11-8-3-1-7(2-4-8)10-9(12)5-6-13-10/h1-6H,12H2

InChIKey

DDQLTKJLVLVCEE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 209.00659 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]+	210.01387	141.8
[M+Na]+	231.99581	155.9
[M+NH4]+	227.04041	152.7
[M+K]+	247.96975	147.4
[M-H]-	207.99931	147.4
[M+Na-2H]-	229.98126	150.5
[M]+	209.00604	146.3
[M]-	209.00714	146.3

Literature stripe

literature stripe

Patent stripe

patents stripe