CID 365387

Nsc633000

Structural Information

Molecular Formula

C₁₄H₁₃NO₂S

SMILES

CC(=O)NC1=CC=CC=C1S(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H13NO2S/c1-11(16)15-13-9-5-6-10-14(13)18(17)12-7-3-2-4-8-12/h2-10H,1H3,(H,15,16)

InChIKey

FOTCKOVKDZSJGX-UHFFFAOYSA-N

Compound name

N-[2-(benzenesulfinyl)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 259.0667 Da
Monoisotopic Mass: 2.4
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]+	260.07398	156.5
[M+Na]+	282.05592	163.3
[M-H]-	258.05942	163.4
[M+NH4]+	277.10052	173.1
[M+K]+	298.02986	159.2
[M+H-H2O]+	242.06396	149.1
[M+HCOO]-	304.06490	175.5
[M+CH3COO]-	318.08055	195.3
[M+Na-2H]-	280.04137	159.1
[M]+	259.06615	157.6
[M]-	259.06725	157.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.