CID 64333513

2094137-56-9

Structural Information

Molecular Formula

C₁₅H₁₅Cl₂NO

SMILES

CC(C1=C(C=C(C=C1)OC2=CC=CC=C2Cl)Cl)NC

InChI

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

InChIKey

WCEVHKNAQOZYIT-UHFFFAOYSA-N

Compound name

1-[2-chloro-4-(2-chlorophenoxy)phenyl]-N-methylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 295.05307 Da
Monoisotopic Mass: 4.5
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	164.3
[M+Na]+	318.042288	173.3
[M-H]-	294.045794	170.4
[M+NH4]+	313.086893	181.0
[M+K]+	334.016228	167.0
[M+H-H2O]+	278.050330	158.4
[M+HCOO]-	340.051271	178.9
[M+CH3COO]-	354.066921	204.2
[M+Na-2H]-	316.027736	167.5
[M]+	295.05252142	168.6
[M]-	295.05361858	168.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.