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

4
Patents

231.08148 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.088756 151.1
[M+Na]+ 254.070698 159.7
[M-H]- 230.074204 157.3
[M+NH4]+ 249.115303 169.6
[M+K]+ 270.044638 153.4
[M+H-H2O]+ 214.078740 144.7
[M+HCOO]- 276.079681 171.3
[M+CH3COO]- 290.095331 192.2
[M+Na-2H]- 252.056146 156.5
[M]+ 231.08093142 151.5
[M]- 231.08202858 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