CID 23112064

874523-27-0

Structural Information

Molecular Formula

C₁₀H₁₄BrNO₂S

SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)CCBr

InChI

InChI=1S/C10H14BrNO2S/c1-12(2)15(13,14)10-5-3-9(4-6-10)7-8-11/h3-6H,7-8H2,1-2H3

InChIKey

NONGMEMNSDZFCY-UHFFFAOYSA-N

Compound name

4-(2-bromoethyl)-N,N-dimethylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 290.99286 Da
Monoisotopic Mass: 3.6
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]+	292.000136	147.4
[M+Na]+	313.982078	158.8
[M-H]-	289.985584	155.2
[M+NH4]+	309.026683	167.7
[M+K]+	329.956018	147.6
[M+H-H2O]+	273.990120	146.8
[M+HCOO]-	335.991061	164.8
[M+CH3COO]-	350.006711	199.6
[M+Na-2H]-	311.967526	153.3
[M]+	290.99231142	169.9
[M]-	290.99340858	169.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe