CID 365390

Nsc633003

Structural Information

Molecular Formula

C₁₄H₁₃NO₃S

SMILES

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

InChI

InChI=1S/C14H13NO3S/c1-11(16)15-13-9-5-6-10-14(13)19(17,18)12-7-3-2-4-8-12/h2-10H,1H3,(H,15,16)

InChIKey

IOEWYEHFITYJJM-UHFFFAOYSA-N

Compound name

N-[2-(benzenesulfonyl)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 275.0616 Da
Monoisotopic Mass: 2.2
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]+	276.06888	160.0
[M+Na]+	298.05082	167.5
[M-H]-	274.05432	167.0
[M+NH4]+	293.09542	175.9
[M+K]+	314.02476	163.3
[M+H-H2O]+	258.05886	152.7
[M+HCOO]-	320.05980	178.8
[M+CH3COO]-	334.07545	196.1
[M+Na-2H]-	296.03627	164.6
[M]+	275.06105	161.8
[M]-	275.06215	161.8

Literature stripe

literature stripe

Patent stripe

patents stripe