CID 101444

1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine

Structural Information

Molecular Formula
C13H18Cl2N2
SMILES
C1CN(CCN1CCCCl)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C13H18Cl2N2/c14-5-2-6-16-7-9-17(10-8-16)13-4-1-3-12(15)11-13/h1,3-4,11H,2,5-10H2
InChIKey
NDQKGEFMUGSRNS-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

509
Patents

272.08472 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.091996 160.8
[M+Na]+ 295.073938 167.6
[M-H]- 271.077444 162.6
[M+NH4]+ 290.118543 175.4
[M+K]+ 311.047878 161.3
[M+H-H2O]+ 255.081980 152.5
[M+HCOO]- 317.082921 168.5
[M+CH3COO]- 331.098571 170.6
[M+Na-2H]- 293.059386 163.5
[M]+ 272.08417142 159.9
[M]- 272.08526858 159.9
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