CID 4147845

1-(4-iodophenyl)piperazine

Structural Information

Molecular Formula

C₁₀H₁₃IN₂

SMILES

C1CN(CCN1)C2=CC=C(C=C2)I

InChI

InChI=1S/C10H13IN2/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8H2

InChIKey

CFZRRGPCDUOJHX-UHFFFAOYSA-N

Compound name

1-(4-iodophenyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 167
Patents: 288.01236 Da
Monoisotopic Mass: 1.8
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]+	289.01964	144.2
[M+Na]+	311.00158	142.7
[M-H]-	287.00508	138.7
[M+NH4]+	306.04618	155.5
[M+K]+	326.97552	144.8
[M+H-H2O]+	271.00962	132.4
[M+HCOO]-	333.01056	156.4
[M+CH3COO]-	347.02621	151.0
[M+Na-2H]-	308.98703	138.2
[M]+	288.01181	134.9
[M]-	288.01291	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe