CID 12268242

3-chloro-n-ethylaniline

Structural Information

Molecular Formula

SMILES

CCNC1=CC(=CC=C1)Cl

InChI

InChI=1S/C8H10ClN/c1-2-10-8-5-3-4-7(9)6-8/h3-6,10H,2H2,1H3

InChIKey

LUNFYXBUYWMPBY-UHFFFAOYSA-N

Compound name

3-chloro-N-ethylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 214
Patents: 155.05017 Da
Monoisotopic Mass: 2.9
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]+	156.05745	129.1
[M+Na]+	178.03939	143.2
[M+NH4]+	173.08399	139.3
[M+K]+	194.01333	135.1
[M-H]-	154.04289	132.9
[M+Na-2H]-	176.02484	137.8
[M]+	155.04962	132.5
[M]-	155.05072	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe