CID 245729

Benzamidobenzenethiol

Structural Information

Molecular Formula

C₁₃H₁₁NOS

SMILES

C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2S

InChI

InChI=1S/C13H11NOS/c15-13(10-6-2-1-3-7-10)14-11-8-4-5-9-12(11)16/h1-9,16H,(H,14,15)

InChIKey

YGJHOWOEBFBOSF-UHFFFAOYSA-N

Compound name

N-(2-sulfanylphenyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 313
Patents: 229.05614 Da
Monoisotopic Mass: 2.8
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]+	230.06342	148.5
[M+Na]+	252.04536	156.0
[M-H]-	228.04886	155.5
[M+NH4]+	247.08996	166.6
[M+K]+	268.01930	151.6
[M+H-H2O]+	212.05340	141.4
[M+HCOO]-	274.05434	168.5
[M+CH3COO]-	288.06999	190.1
[M+Na-2H]-	250.03081	152.7
[M]+	229.05559	149.1
[M]-	229.05669	149.1

Literature stripe

literature stripe

Patent stripe

patents stripe