CID 589052

39565-69-0

Structural Information

Molecular Formula

C₁₀H₁₁NO₂S

SMILES

C1C(C=CS1(=O)=O)NC2=CC=CC=C2

InChI

InChI=1S/C10H11NO2S/c12-14(13)7-6-10(8-14)11-9-4-2-1-3-5-9/h1-7,10-11H,8H2

InChIKey

LBFHMWULQVSCQO-UHFFFAOYSA-N

Compound name

1,1-dioxo-N-phenyl-2,3-dihydrothiophen-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 0
Patents: 209.05106 Da
Monoisotopic Mass: 1.3
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]+	210.058336	141.7
[M+Na]+	232.040278	150.9
[M-H]-	208.043784	149.2
[M+NH4]+	227.084883	164.5
[M+K]+	248.014218	147.4
[M+H-H2O]+	192.048320	136.2
[M+HCOO]-	254.049261	163.5
[M+CH3COO]-	268.064911	182.0
[M+Na-2H]-	230.025726	146.4
[M]+	209.05051142	142.7
[M]-	209.05160858	142.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.