CID 24257988

1,3-bis(4-chlorophenyl)propan-2-amine hydrochloride

Structural Information

Molecular Formula
C15H15Cl2N
SMILES
C1=CC(=CC=C1CC(CC2=CC=C(C=C2)Cl)N)Cl
InChI
InChI=1S/C15H15Cl2N/c16-13-5-1-11(2-6-13)9-15(18)10-12-3-7-14(17)8-4-12/h1-8,15H,9-10,18H2
InChIKey
NYEIPJXITMQMTK-UHFFFAOYSA-N
Compound name
1,3-bis(4-chlorophenyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

279.05817 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.06545 162.8
[M+Na]+ 302.04739 178.8
[M+NH4]+ 297.09199 172.8
[M+K]+ 318.02133 168.8
[M-H]- 278.05089 168.6
[M+Na-2H]- 300.03284 172.5
[M]+ 279.05762 167.6
[M]- 279.05872 167.6
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

No patent data available for this compound.