CID 984584

19837-93-5

Structural Information

Molecular Formula

C₁₄H₁₃BrN₂O₃S

SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C14H13BrN2O3S/c1-10(18)16-12-6-8-14(9-7-12)21(19,20)17-13-4-2-11(15)3-5-13/h2-9,17H,1H3,(H,16,18)

InChIKey

CVLCPLVKJBKMDG-UHFFFAOYSA-N

Compound name

N-[4-[(4-bromophenyl)sulfamoyl]phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 367.98303 Da
Monoisotopic Mass: 2.6
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]+	368.990306	164.7
[M+Na]+	390.972248	174.7
[M-H]-	366.975754	173.8
[M+NH4]+	386.016853	180.5
[M+K]+	406.946188	161.7
[M+H-H2O]+	350.980290	162.6
[M+HCOO]-	412.981231	182.0
[M+CH3COO]-	426.996881	210.9
[M+Na-2H]-	388.957696	170.9
[M]+	367.98248142	184.5
[M]-	367.98357858	184.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.