CID 5372798

Lewisite

Structural Information

Molecular Formula

C₂H₂AsCl₃

SMILES

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

InChI

InChI=1S/C2H2AsCl3/c4-2-1-3(5)6/h1-2H/b2-1+

InChIKey

GIKLTQKNOXNBNY-OWOJBTEDSA-N

Compound name

dichloro-[(E)-2-chloroethenyl]arsane

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 126
References: 2080
Patents: 205.8438 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]+	206.85108	132.4
[M+Na]+	228.83302	141.4
[M-H]-	204.83652	130.8
[M+NH4]+	223.87762	154.2
[M+K]+	244.80696	136.5
[M+H-H2O]+	188.84106	130.5
[M+HCOO]-	250.84200	140.6
[M+CH3COO]-	264.85765	174.6
[M+Na-2H]-	226.81847	136.4
[M]+	205.84325	133.3
[M]-	205.84435	133.3

Literature stripe

literature stripe

Patent stripe

patents stripe