CID 46223

Brn 2693280

Structural Information

Molecular Formula

C₁₁H₁₅Cl₂N

SMILES

CCN(CCCl)CC1=CC=C(C=C1)Cl

InChI

InChI=1S/C11H15Cl2N/c1-2-14(8-7-12)9-10-3-5-11(13)6-4-10/h3-6H,2,7-9H2,1H3

InChIKey

DQVHBIDSEFMVEU-UHFFFAOYSA-N

Compound name

2-chloro-N-[(4-chlorophenyl)methyl]-N-ethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 231.05815 Da
Monoisotopic Mass: 3.3
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]+	232.065426	150.0
[M+Na]+	254.047368	158.0
[M-H]-	230.050874	153.9
[M+NH4]+	249.091973	169.8
[M+K]+	270.021308	153.2
[M+H-H2O]+	214.055410	145.1
[M+HCOO]-	276.056351	165.7
[M+CH3COO]-	290.072001	195.2
[M+Na-2H]-	252.032816	154.6
[M]+	231.05760142	154.6
[M]-	231.05869858	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.