CID 46865

Tl 489

Structural Information

Molecular Formula
C8H7AsCl2N2O5
SMILES
CCOC1=C(C=C(C=C1[N+](=O)[O-])[As](Cl)Cl)[N+](=O)[O-]
InChI
InChI=1S/C8H7AsCl2N2O5/c1-2-18-8-6(12(14)15)3-5(9(10)11)4-7(8)13(16)17/h3-4H,2H2,1H3
InChIKey
FMWWEHJKVHSQLK-UHFFFAOYSA-N
Compound name
dichloro-(4-ethoxy-3,5-dinitrophenyl)arsane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.8948 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.90208 172.9
[M+Na]+ 378.88402 179.0
[M-H]- 354.88752 174.9
[M+NH4]+ 373.92862 186.7
[M+K]+ 394.85796 168.0
[M+H-H2O]+ 338.89206 177.4
[M+HCOO]- 400.89300 187.8
[M+CH3COO]- 414.90865 191.7
[M+Na-2H]- 376.86947 176.6
[M]+ 355.89425 175.1
[M]- 355.89535 175.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.