CID 28305831

{2-[2-(4-chlorophenyl)ethyl]phenyl}amine hydrochloride

Structural Information

Molecular Formula
C14H14ClN
SMILES
C1=CC=C(C(=C1)CCC2=CC=C(C=C2)Cl)N
InChI
InChI=1S/C14H14ClN/c15-13-9-6-11(7-10-13)5-8-12-3-1-2-4-14(12)16/h1-4,6-7,9-10H,5,8,16H2
InChIKey
DSEJDYDGUHYJFE-UHFFFAOYSA-N
Compound name
2-[2-(4-chlorophenyl)ethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

231.08148 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.08876 151.1
[M+Na]+ 254.07070 159.7
[M-H]- 230.07420 157.3
[M+NH4]+ 249.11530 169.6
[M+K]+ 270.04464 153.4
[M+H-H2O]+ 214.07874 144.7
[M+HCOO]- 276.07968 171.3
[M+CH3COO]- 290.09533 192.2
[M+Na-2H]- 252.05615 156.5
[M]+ 231.08093 151.5
[M]- 231.08203 151.5
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

patents stripe