CID 93601

1-(3,4-dichlorophenyl)piperazine

Structural Information

Molecular Formula
C10H12Cl2N2
SMILES
C1CN(CCN1)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C10H12Cl2N2/c11-9-2-1-8(7-10(9)12)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2
InChIKey
PXFJLKKZSWWVRX-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1460
Patents

230.03775 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.04503 147.5
[M+Na]+ 253.02697 162.6
[M+NH4]+ 248.07157 156.9
[M+K]+ 269.00091 153.9
[M-H]- 229.03047 150.9
[M+Na-2H]- 251.01242 155.6
[M]+ 230.03720 151.2
[M]- 230.03830 151.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe