CID 114855566

{[4-chloro-2-(4-chlorophenoxy)phenyl]methyl}(ethyl)amine

Structural Information

Molecular Formula

C₁₅H₁₅Cl₂NO

SMILES

CCNCC1=C(C=C(C=C1)Cl)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H15Cl2NO/c1-2-18-10-11-3-4-13(17)9-15(11)19-14-7-5-12(16)6-8-14/h3-9,18H,2,10H2,1H3

InChIKey

XVLHGHAOCGPTDU-UHFFFAOYSA-N

Compound name

N-[[4-chloro-2-(4-chlorophenoxy)phenyl]methyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 295.05307 Da
Monoisotopic Mass: 4.4
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]+	296.060346	164.7
[M+Na]+	318.042288	174.0
[M-H]-	294.045794	170.6
[M+NH4]+	313.086893	181.4
[M+K]+	334.016228	167.1
[M+H-H2O]+	278.050330	158.5
[M+HCOO]-	340.051271	180.2
[M+CH3COO]-	354.066921	203.4
[M+Na-2H]-	316.027736	169.0
[M]+	295.05252142	169.4
[M]-	295.05361858	169.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.