CID 23447881

178928-59-1

Structural Information

Molecular Formula

C₁₀H₁₃ClN₂O

SMILES

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

InChI

InChI=1S/C10H13ClN2O/c11-8-1-2-10(14)9(7-8)13-5-3-12-4-6-13/h1-2,7,12,14H,3-6H2

InChIKey

GHDUVGOEHGCXAM-UHFFFAOYSA-N

Compound name

4-chloro-2-piperazin-1-ylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 212.07164 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]+	213.07892	145.5
[M+Na]+	235.06086	152.5
[M-H]-	211.06436	146.1
[M+NH4]+	230.10546	160.8
[M+K]+	251.03480	146.9
[M+H-H2O]+	195.06890	138.3
[M+HCOO]-	257.06984	156.8
[M+CH3COO]-	271.08549	156.1
[M+Na-2H]-	233.04631	149.9
[M]+	212.07109	140.4
[M]-	212.07219	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe