CID 3052535

68968-06-9

Structural Information

Molecular Formula

C₁₄H₁₄ClN

SMILES

C1=CC=C(C=C1)C(CC2=CC(=CC=C2)Cl)N

InChI

InChI=1S/C14H14ClN/c15-13-8-4-5-11(9-13)10-14(16)12-6-2-1-3-7-12/h1-9,14H,10,16H2

InChIKey

DXUXYVHIIOWROF-UHFFFAOYSA-N

Compound name

2-(3-chlorophenyl)-1-phenylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
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	151.3
[M+Na]+	254.070698	158.6
[M-H]-	230.074204	157.2
[M+NH4]+	249.115303	169.4
[M+K]+	270.044638	152.8
[M+H-H2O]+	214.078740	144.8
[M+HCOO]-	276.079681	170.5
[M+CH3COO]-	290.095331	192.0
[M+Na-2H]-	252.056146	156.3
[M]+	231.08093142	150.7
[M]-	231.08202858	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe