CID 3040044

Ethyl-p-tolylchloroarsine

Structural Information

Molecular Formula

C₉H₁₂AsCl

SMILES

CC[As](C1=CC=C(C=C1)C)Cl

InChI

InChI=1S/C9H12AsCl/c1-3-10(11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3

InChIKey

NXZNMJIINRKXNE-UHFFFAOYSA-N

Compound name

chloro-ethyl-(4-methylphenyl)arsane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 229.98434 Da
Monoisotopic Mass: None
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]+	230.991616	145.2
[M+Na]+	252.973558	153.3
[M-H]-	228.977064	148.3
[M+NH4]+	248.018163	166.3
[M+K]+	268.947498	149.3
[M+H-H2O]+	212.981600	140.1
[M+HCOO]-	274.982541	163.2
[M+CH3COO]-	288.998191	182.4
[M+Na-2H]-	250.959006	149.4
[M]+	229.98379142	147.2
[M]-	229.98488858	147.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.