CID 19362819

1-[2-(4-chlorophenyl)phenyl]ethan-1-amine

Structural Information

Molecular Formula

C₁₄H₁₄ClN

SMILES

CC(C1=CC=CC=C1C2=CC=C(C=C2)Cl)N

InChI

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

InChIKey

SLHJBVKZPIIYPO-UHFFFAOYSA-N

Compound name

1-[2-(4-chlorophenyl)phenyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 231.08148 Da
Monoisotopic Mass: 3.4
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]+	232.088756	151.2
[M+Na]+	254.070698	159.5
[M-H]-	230.074204	157.5
[M+NH4]+	249.115303	169.6
[M+K]+	270.044638	153.7
[M+H-H2O]+	214.078740	145.0
[M+HCOO]-	276.079681	170.4
[M+CH3COO]-	290.095331	193.1
[M+Na-2H]-	252.056146	155.4
[M]+	231.08093142	151.0
[M]-	231.08202858	151.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.