CID 851833

1-(2,3-dichlorophenyl)piperazine

Structural Information

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

2D Structure

compound 2d structure
5
Annotation Hits

15
References

1969
Patents

230.03775 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.045026 147.6
[M+Na]+ 253.026968 155.2
[M-H]- 229.030474 148.5
[M+NH4]+ 248.071573 163.2
[M+K]+ 269.000908 148.8
[M+H-H2O]+ 213.035010 140.4
[M+HCOO]- 275.035951 154.9
[M+CH3COO]- 289.051601 158.0
[M+Na-2H]- 251.012416 151.5
[M]+ 230.03720142 143.8
[M]- 230.03829858 143.8
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