CID 668263

Thiobenzanilide

Structural Information

Molecular Formula

C₁₃H₁₁NS

SMILES

C1=CC=C(C=C1)C(=S)NC2=CC=CC=C2

InChI

InChI=1S/C13H11NS/c15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h1-10H,(H,14,15)

InChIKey

BOQKCADLPNLYCZ-UHFFFAOYSA-N

Compound name

N-phenylbenzenecarbothioamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 9
References: 326
Patents: 213.06122 Da
Monoisotopic Mass: 3.0
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]+	214.06850	144.8
[M+Na]+	236.05044	151.6
[M-H]-	212.05394	151.5
[M+NH4]+	231.09504	163.4
[M+K]+	252.02438	146.7
[M+H-H2O]+	196.05848	137.8
[M+HCOO]-	258.05942	164.6
[M+CH3COO]-	272.07507	157.4
[M+Na-2H]-	234.03589	149.7
[M]+	213.06067	143.7
[M]-	213.06177	143.7

Literature stripe

literature stripe

Patent stripe

patents stripe