CID 361297

Benzenamine, 2-[(4-chlorophenyl)thio]-

Structural Information

Molecular Formula

C₁₂H₁₀ClNS

SMILES

C1=CC=C(C(=C1)N)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H10ClNS/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h1-8H,14H2

InChIKey

JZLUOCTZACJYNR-UHFFFAOYSA-N

Compound name

2-(4-chlorophenyl)sulfanylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 21
Patents: 235.02225 Da
Monoisotopic Mass: 3.9
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]+	236.02953	147.1
[M+Na]+	258.01147	156.8
[M-H]-	234.01497	153.9
[M+NH4]+	253.05607	166.1
[M+K]+	273.98541	150.2
[M+H-H2O]+	218.01951	141.4
[M+HCOO]-	280.02045	162.9
[M+CH3COO]-	294.03610	160.3
[M+Na-2H]-	255.99692	150.8
[M]+	235.02170	148.9
[M]-	235.02280	148.9

Literature stripe

literature stripe

Patent stripe

patents stripe