CID 5170020

1021871-56-6

Structural Information

Molecular Formula

C₁₄H₁₃Cl₂N

SMILES

C1=CC=C(C=C1)C(CN)C2=CC(=CC(=C2)Cl)Cl

InChI

InChI=1S/C14H13Cl2N/c15-12-6-11(7-13(16)8-12)14(9-17)10-4-2-1-3-5-10/h1-8,14H,9,17H2

InChIKey

RUQWNHGVURDYAM-UHFFFAOYSA-N

Compound name

2-(3,5-dichlorophenyl)-2-phenylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 265.0425 Da
Monoisotopic Mass: 4.0
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]+	266.049776	157.5
[M+Na]+	288.031718	166.1
[M-H]-	264.035224	162.9
[M+NH4]+	283.076323	174.9
[M+K]+	304.005658	159.0
[M+H-H2O]+	248.039760	151.8
[M+HCOO]-	310.040701	171.6
[M+CH3COO]-	324.056351	169.3
[M+Na-2H]-	286.017166	160.9
[M]+	265.04195142	158.6
[M]-	265.04304858	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe