CID 104717

54288-96-9

Structural Information

Molecular Formula

C₁₇H₁₃Br₂NO₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C3=CC=CC=C3C=C2Br)Br

InChI

InChI=1S/C17H13Br2NO2S/c1-11-6-8-13(9-7-11)23(21,22)20-17-15(18)10-12-4-2-3-5-14(12)16(17)19/h2-10,20H,1H3

InChIKey

UVAKNVUPXFGEIM-UHFFFAOYSA-N

Compound name

N-(1,3-dibromonaphthalen-2-yl)-4-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 452.90338 Da
Monoisotopic Mass: 5.4
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]+	453.910656	164.1
[M+Na]+	475.892598	175.1
[M-H]-	451.896104	173.9
[M+NH4]+	470.937203	179.4
[M+K]+	491.866538	158.6
[M+H-H2O]+	435.900640	171.5
[M+HCOO]-	497.901581	175.6
[M+CH3COO]-	511.917231	225.1
[M+Na-2H]-	473.878046	171.0
[M]+	452.90283142	200.1
[M]-	452.90392858	200.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.