CID 17855001

1-(2,6-dichlorobenzoyl)piperazine

Structural Information

Molecular Formula

C₁₁H₁₂Cl₂N₂O

SMILES

C1CN(CCN1)C(=O)C2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C11H12Cl2N2O/c12-8-2-1-3-9(13)10(8)11(16)15-6-4-14-5-7-15/h1-3,14H,4-7H2

InChIKey

QLYMWDPEXIEMSX-UHFFFAOYSA-N

Compound name

(2,6-dichlorophenyl)-piperazin-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 258.03265 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]+	259.039926	153.4
[M+Na]+	281.021868	160.7
[M-H]-	257.025374	154.6
[M+NH4]+	276.066473	167.9
[M+K]+	296.995808	154.5
[M+H-H2O]+	241.029910	146.3
[M+HCOO]-	303.030851	160.0
[M+CH3COO]-	317.046501	163.4
[M+Na-2H]-	279.007316	155.8
[M]+	258.03210142	150.2
[M]-	258.03319858	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe