CID 292568

4-chloro-n-(4-methylbenzyl)aniline

Structural Information

Molecular Formula

C₁₄H₁₄ClN

SMILES

CC1=CC=C(C=C1)CNC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H14ClN/c1-11-2-4-12(5-3-11)10-16-14-8-6-13(15)7-9-14/h2-9,16H,10H2,1H3

InChIKey

NEBOTWDYNFJHNQ-UHFFFAOYSA-N

Compound name

4-chloro-N-[(4-methylphenyl)methyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 231.08148 Da
Monoisotopic Mass: 4.4
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	151.1
[M+Na]+	254.07070	167.5
[M+NH4]+	249.11530	161.6
[M+K]+	270.04464	157.5
[M-H]-	230.07420	157.7
[M+Na-2H]-	252.05615	162.2
[M]+	231.08093	155.9
[M]-	231.08203	155.9

Literature stripe

literature stripe

Patent stripe

patents stripe