CID 816344

13541-00-9

Structural Information

Molecular Formula

C₁₄H₁₄ClN

SMILES

C1=CC=C(C=C1)CNCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H14ClN/c15-14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-9,16H,10-11H2

InChIKey

NLJKKSSMEUWPKM-UHFFFAOYSA-N

Compound name

N-[(4-chlorophenyl)methyl]-1-phenylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 231.08148 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	232.08876	151.5
[M+Na]+	254.07070	167.5
[M+NH4]+	249.11530	162.0
[M+K]+	270.04464	157.3
[M-H]-	230.07420	158.0
[M+Na-2H]-	252.05615	162.8
[M]+	231.08093	156.1
[M]-	231.08203	156.1

Literature stripe

literature stripe

Patent stripe

patents stripe