CID 5352143

Lewisite 3, (e,e,e)-

Structural Information

Molecular Formula
C6H6AsCl3
SMILES
C(=C/[As](/C=C/Cl)/C=C/Cl)\Cl
InChI
InChI=1S/C6H6AsCl3/c8-4-1-7(2-5-9)3-6-10/h1-6H/b4-1+,5-2+,6-3+
InChIKey
AOAVIJUEFJPSAI-GZDDRBCLSA-N
Compound name
tris[(E)-2-chloroethenyl]arsane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

319
Patents

257.8751 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.88238 149.1
[M+Na]+ 280.86432 157.3
[M-H]- 256.86782 147.0
[M+NH4]+ 275.90892 169.0
[M+K]+ 296.83826 150.1
[M+H-H2O]+ 240.87236 146.6
[M+HCOO]- 302.87330 156.4
[M+CH3COO]- 316.88895 183.0
[M+Na-2H]- 278.84977 151.0
[M]+ 257.87455 150.1
[M]- 257.87565 150.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe