CID 54918840

1-(3-chlorophenyl)-3-phenylpropan-1-amine

Structural Information

Molecular Formula
C15H16ClN
SMILES
C1=CC=C(C=C1)CCC(C2=CC(=CC=C2)Cl)N
InChI
InChI=1S/C15H16ClN/c16-14-8-4-7-13(11-14)15(17)10-9-12-5-2-1-3-6-12/h1-8,11,15H,9-10,17H2
InChIKey
LNZUOHYDTGDPHV-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-phenylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.09712 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.104396 156.0
[M+Na]+ 268.086338 162.8
[M-H]- 244.089844 161.6
[M+NH4]+ 263.130943 173.4
[M+K]+ 284.060278 156.8
[M+H-H2O]+ 228.094380 149.3
[M+HCOO]- 290.095321 174.8
[M+CH3COO]- 304.110971 195.0
[M+Na-2H]- 266.071786 160.4
[M]+ 245.09657142 155.7
[M]- 245.09766858 155.7
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

No patent data available for this compound.