CID 17948957

4-(3-bromophenyl)pyrrolidin-2-one

Structural Information

Molecular Formula

C₁₀H₁₀BrNO

SMILES

C1C(CNC1=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C10H10BrNO/c11-9-3-1-2-7(4-9)8-5-10(13)12-6-8/h1-4,8H,5-6H2,(H,12,13)

InChIKey

OKCQAQCUYZLTCI-UHFFFAOYSA-N

Compound name

4-(3-bromophenyl)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 238.99458 Da
Monoisotopic Mass: 1.7
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]+	240.00186	149.1
[M+Na]+	261.98380	151.9
[M+NH4]+	257.02840	154.0
[M+K]+	277.95774	152.8
[M-H]-	237.98730	150.2
[M+Na-2H]-	259.96925	152.2
[M]+	238.99403	148.5
[M]-	238.99513	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe