CID 7093

N-(2-chloroethyl)-n-ethylaniline

Structural Information

Molecular Formula

C₁₀H₁₄ClN

SMILES

CCN(CCCl)C1=CC=CC=C1

InChI

InChI=1S/C10H14ClN/c1-2-12(9-8-11)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3

InChIKey

DBDNQNARCHWMSP-UHFFFAOYSA-N

Compound name

N-(2-chloroethyl)-N-ethylaniline

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 379
Patents: 183.08148 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]+	184.088756	139.3
[M+Na]+	206.070698	146.4
[M-H]-	182.074204	143.8
[M+NH4]+	201.115303	160.4
[M+K]+	222.044638	143.5
[M+H-H2O]+	166.078740	133.7
[M+HCOO]-	228.079681	160.5
[M+CH3COO]-	242.095331	186.6
[M+Na-2H]-	204.056146	146.0
[M]+	183.08093142	142.1
[M]-	183.08202858	142.1

Literature stripe

literature stripe

Patent stripe

patents stripe