CID 1355

1-(3-chlorophenyl)piperazine

Structural Information

Molecular Formula
C10H13ClN2
SMILES
C1CN(CCN1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
InChIKey
VHFVKMTVMIZMIK-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

977
References

5740
Patents

196.07672 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.083996 142.0
[M+Na]+ 219.065938 148.5
[M-H]- 195.069444 143.5
[M+NH4]+ 214.110543 158.4
[M+K]+ 235.039878 143.2
[M+H-H2O]+ 179.073980 134.3
[M+HCOO]- 241.074921 154.5
[M+CH3COO]- 255.090571 153.0
[M+Na-2H]- 217.051386 147.5
[M]+ 196.07617142 136.8
[M]- 196.07726858 136.8
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