CID 16122635

(2r)-2-(4-chlorophenyl)-2-phenylethanamine

Structural Information

Molecular Formula
C14H14ClN
SMILES
C1=CC=C(C=C1)[C@@H](CN)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H14ClN/c15-13-8-6-12(7-9-13)14(10-16)11-4-2-1-3-5-11/h1-9,14H,10,16H2/t14-/m1/s1
InChIKey
PNKKPFLBOWGVSF-CQSZACIVSA-N
Compound name
(2R)-2-(4-chlorophenyl)-2-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

231.08148 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.08876 151.3
[M+Na]+ 254.07070 158.6
[M-H]- 230.07420 157.2
[M+NH4]+ 249.11530 169.4
[M+K]+ 270.04464 152.8
[M+H-H2O]+ 214.07874 144.8
[M+HCOO]- 276.07968 170.5
[M+CH3COO]- 290.09533 192.0
[M+Na-2H]- 252.05615 156.3
[M]+ 231.08093 150.7
[M]- 231.08203 150.7
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

patents stripe