CID 95051

834-66-2

Structural Information

Molecular Formula

C₁₁H₁₄BrNO₂S

SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C11H14BrNO2S/c12-10-4-6-11(7-5-10)16(14,15)13-8-2-1-3-9-13/h4-7H,1-3,8-9H2

InChIKey

AVWJTUSLSQWCFK-UHFFFAOYSA-N

Compound name

1-(4-bromophenyl)sulfonylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 104
Patents: 302.99286 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]+	304.00014	150.6
[M+Na]+	325.98208	160.9
[M-H]-	301.98558	158.2
[M+NH4]+	321.02668	168.7
[M+K]+	341.95602	149.2
[M+H-H2O]+	285.99012	150.6
[M+HCOO]-	347.99106	163.0
[M+CH3COO]-	362.00671	194.1
[M+Na-2H]-	323.96753	156.3
[M]+	302.99231	167.6
[M]-	302.99341	167.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe