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

81
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

No literature data available for this compound.

Patent stripe

patents stripe