CID 53407707

3-(4-bromophenyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₂BrN

SMILES

C1CNCC1C2=CC=C(C=C2)Br

InChI

InChI=1S/C10H12BrN/c11-10-3-1-8(2-4-10)9-5-6-12-7-9/h1-4,9,12H,5-7H2

InChIKey

HXTSCISDZDBQEK-UHFFFAOYSA-N

Compound name

3-(4-bromophenyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 144
Patents: 225.0153 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]+	226.022576	145.1
[M+Na]+	248.004518	155.2
[M-H]-	224.008024	151.5
[M+NH4]+	243.049123	166.6
[M+K]+	263.978458	143.6
[M+H-H2O]+	208.012560	144.9
[M+HCOO]-	270.013501	163.8
[M+CH3COO]-	284.029151	159.3
[M+Na-2H]-	245.989966	150.5
[M]+	225.01475142	158.8
[M]-	225.01584858	158.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe