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 162.1
[M+Na]+ 302.04739 170.3
[M-H]- 278.05089 167.3
[M+NH4]+ 297.09199 178.9
[M+K]+ 318.02133 162.9
[M+H-H2O]+ 262.05543 156.2
[M+HCOO]- 324.05637 175.9
[M+CH3COO]- 338.07202 200.5
[M+Na-2H]- 300.03284 164.9
[M]+ 279.05762 163.6
[M]- 279.05872 163.6
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.