CID 3463334

1-(2-bromophenyl)pyrrolidin-2-one

Structural Information

Molecular Formula

C₁₀H₁₀BrNO

SMILES

C1CC(=O)N(C1)C2=CC=CC=C2Br

InChI

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

InChIKey

FXXUXPJETBQBKX-UHFFFAOYSA-N

Compound name

1-(2-bromophenyl)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 238.99458 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]+	240.001856	145.3
[M+Na]+	261.983798	156.9
[M-H]-	237.987304	153.4
[M+NH4]+	257.028403	167.1
[M+K]+	277.957738	146.0
[M+H-H2O]+	221.991840	145.0
[M+HCOO]-	283.992781	165.8
[M+CH3COO]-	298.008431	186.9
[M+Na-2H]-	259.969246	150.5
[M]+	238.99403142	161.8
[M]-	238.99512858	161.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe