CID 24707713

1-(4-bromophenyl)piperidin-2-one

Structural Information

Molecular Formula

C₁₁H₁₂BrNO

SMILES

C1CCN(C(=O)C1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C11H12BrNO/c12-9-4-6-10(7-5-9)13-8-2-1-3-11(13)14/h4-7H,1-3,8H2

InChIKey

RCYSBMQFKWYEBJ-UHFFFAOYSA-N

Compound name

1-(4-bromophenyl)piperidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 253.01022 Da
Monoisotopic Mass: 2.4
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]+	254.01750	147.3
[M+Na]+	275.99944	151.4
[M+NH4]+	271.04404	152.7
[M+K]+	291.97338	150.3
[M-H]-	252.00294	149.5
[M+Na-2H]-	273.98489	152.0
[M]+	253.00967	147.3
[M]-	253.01077	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe