CID 292568

N-(4-chlorophenyl)-4-methylbenzylamine

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

17
Patents

231.08148 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.08876 150.5
[M+Na]+ 254.07070 159.0
[M-H]- 230.07420 157.1
[M+NH4]+ 249.11530 169.2
[M+K]+ 270.04464 153.1
[M+H-H2O]+ 214.07874 144.0
[M+HCOO]- 276.07968 171.3
[M+CH3COO]- 290.09533 192.9
[M+Na-2H]- 252.05615 157.0
[M]+ 231.08093 151.8
[M]- 231.08203 151.8
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