CID 16772755

1-(2-iodobenzoyl)piperazine hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₃IN₂O

SMILES

C1CN(CCN1)C(=O)C2=CC=CC=C2I

InChI

InChI=1S/C11H13IN2O/c12-10-4-2-1-3-9(10)11(15)14-7-5-13-6-8-14/h1-4,13H,5-8H2

InChIKey

PJRWJQFQPKHRIH-UHFFFAOYSA-N

Compound name

(2-iodophenyl)-piperazin-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 316.00726 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]+	317.014536	151.7
[M+Na]+	338.996478	149.8
[M-H]-	314.999984	146.2
[M+NH4]+	334.041083	161.7
[M+K]+	354.970418	152.1
[M+H-H2O]+	299.004520	139.8
[M+HCOO]-	361.005461	163.0
[M+CH3COO]-	375.021111	190.6
[M+Na-2H]-	336.981926	144.0
[M]+	316.00671142	142.8
[M]-	316.00780858	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe