CID 5225638

2-(3-chlorophenyl)piperazine

Structural Information

Molecular Formula
C10H13ClN2
SMILES
C1CNC(CN1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C10H13ClN2/c11-9-3-1-2-8(6-9)10-7-12-4-5-13-10/h1-3,6,10,12-13H,4-5,7H2
InChIKey
XRVXSYWJPAAOBC-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

196.07672 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.083996 142.4
[M+Na]+ 219.065938 148.5
[M-H]- 195.069444 142.5
[M+NH4]+ 214.110543 158.1
[M+K]+ 235.039878 142.3
[M+H-H2O]+ 179.073980 135.0
[M+HCOO]- 241.074921 153.4
[M+CH3COO]- 255.090571 152.7
[M+Na-2H]- 217.051386 147.5
[M]+ 196.07617142 135.4
[M]- 196.07726858 135.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe