CID 2736067

1-(3,5-dichlorophenyl)piperazine

Structural Information

Molecular Formula
C10H12Cl2N2
SMILES
C1CN(CCN1)C2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C10H12Cl2N2/c11-8-5-9(12)7-10(6-8)14-3-1-13-2-4-14/h5-7,13H,1-4H2
InChIKey
LISGMSBYRAXPJH-UHFFFAOYSA-N
Compound name
1-(3,5-dichlorophenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

712
Patents

230.03775 Da
Monoisotopic Mass

2.6
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