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]+ 280.065446 162.1
[M+Na]+ 302.047388 170.3
[M-H]- 278.050894 167.3
[M+NH4]+ 297.091993 178.9
[M+K]+ 318.021328 162.9
[M+H-H2O]+ 262.055430 156.2
[M+HCOO]- 324.056371 175.9
[M+CH3COO]- 338.072021 200.5
[M+Na-2H]- 300.032836 164.9
[M]+ 279.05762142 163.6
[M]- 279.05871858 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.