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
7
Annotation Hits

977
References

4809
Patents

196.07672 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08400 142.0
[M+Na]+ 219.06594 148.5
[M-H]- 195.06944 143.5
[M+NH4]+ 214.11054 158.4
[M+K]+ 235.03988 143.2
[M+H-H2O]+ 179.07398 134.3
[M+HCOO]- 241.07492 154.5
[M+CH3COO]- 255.09057 153.0
[M+Na-2H]- 217.05139 147.5
[M]+ 196.07617 136.8
[M]- 196.07727 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