CID 2761070

285995-01-9

Structural Information

Molecular Formula

C₁₁H₁₄BrNO₂S

SMILES

C1CNCCC1S(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C11H14BrNO2S/c12-9-1-3-10(4-2-9)16(14,15)11-5-7-13-8-6-11/h1-4,11,13H,5-8H2

InChIKey

JLFNPSVUHQMQHA-UHFFFAOYSA-N

Compound name

4-(4-bromophenyl)sulfonylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 302.99286 Da
Monoisotopic Mass: 2.0
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]+	304.000136	151.2
[M+Na]+	325.982078	160.9
[M-H]-	301.985584	157.4
[M+NH4]+	321.026683	168.5
[M+K]+	341.956018	148.3
[M+H-H2O]+	285.990120	151.3
[M+HCOO]-	347.991061	162.1
[M+CH3COO]-	362.006711	191.8
[M+Na-2H]-	323.967526	156.4
[M]+	302.99231142	166.4
[M]-	302.99340858	166.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe