CID 5115231

2-(2-bromophenyl)piperidine

Structural Information

Molecular Formula

C₁₁H₁₄BrN

SMILES

C1CCNC(C1)C2=CC=CC=C2Br

InChI

InChI=1S/C11H14BrN/c12-10-6-2-1-5-9(10)11-7-3-4-8-13-11/h1-2,5-6,11,13H,3-4,7-8H2

InChIKey

BZQYYLIFPSPOKO-UHFFFAOYSA-N

Compound name

2-(2-bromophenyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 239.03096 Da
Monoisotopic Mass: 2.9
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]+	240.03824	146.6
[M+Na]+	262.02018	150.4
[M+NH4]+	257.06478	152.4
[M+K]+	277.99412	148.9
[M-H]-	238.02368	149.0
[M+Na-2H]-	260.00563	151.5
[M]+	239.03041	146.7
[M]-	239.03151	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe