CID 15785125

13363-50-3

Structural Information

Molecular Formula

C₁₃H₁₁NS

SMILES

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

InChI

InChI=1S/C13H11NS/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,14,15)

InChIKey

HYDDAJTWPBWUOB-UHFFFAOYSA-N

Compound name

4-phenylbenzenecarbothioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 125
Patents: 213.06122 Da
Monoisotopic Mass: 3.5
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	145.2
[M+Na]+	236.05044	159.3
[M+NH4]+	231.09504	155.3
[M+K]+	252.02438	149.4
[M-H]-	212.05394	151.3
[M+Na-2H]-	234.03589	155.1
[M]+	213.06067	149.5
[M]-	213.06177	149.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe