CID 5368106

Lewisite 2

Structural Information

Molecular Formula

C₄H₄AsCl₃

SMILES

C(=C/[As](Cl)/C=C/Cl)\Cl

InChI

InChI=1S/C4H4AsCl3/c6-3-1-5(8)2-4-7/h1-4H/b3-1+,4-2+

InChIKey

YRFJGLQNTWLXKO-ZPUQHVIOSA-N

Compound name

chloro-bis[(E)-2-chloroethenyl]arsane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 286
Patents: 231.85945 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]+	232.866726	140.8
[M+Na]+	254.848668	149.4
[M-H]-	230.852174	138.9
[M+NH4]+	249.893273	161.6
[M+K]+	270.822608	143.4
[M+H-H2O]+	214.856710	138.6
[M+HCOO]-	276.857651	148.6
[M+CH3COO]-	290.873301	178.8
[M+Na-2H]-	252.834116	143.7
[M]+	231.85890142	141.8
[M]-	231.85999858	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe