CID 13787457

2-(2-chlorophenyl)piperazine

Structural Information

Molecular Formula
C10H13ClN2
SMILES
C1CNC(CN1)C2=CC=CC=C2Cl
InChI
InChI=1S/C10H13ClN2/c11-9-4-2-1-3-8(9)10-7-12-5-6-13-10/h1-4,10,12-13H,5-7H2
InChIKey
JBRNEAZTLHDKBX-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

196.07672 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08400 142.4
[M+Na]+ 219.06594 148.5
[M-H]- 195.06944 142.5
[M+NH4]+ 214.11054 158.1
[M+K]+ 235.03988 142.3
[M+H-H2O]+ 179.07398 135.0
[M+HCOO]- 241.07492 153.4
[M+CH3COO]- 255.09057 152.7
[M+Na-2H]- 217.05139 147.5
[M]+ 196.07617 135.4
[M]- 196.07727 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

literature stripe

Patent stripe

patents stripe