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]+ 246.10440 156.0
[M+Na]+ 268.08634 162.8
[M-H]- 244.08984 161.6
[M+NH4]+ 263.13094 173.4
[M+K]+ 284.06028 156.8
[M+H-H2O]+ 228.09438 149.3
[M+HCOO]- 290.09532 174.8
[M+CH3COO]- 304.11097 195.0
[M+Na-2H]- 266.07179 160.4
[M]+ 245.09657 155.7
[M]- 245.09767 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.