CID 131954751

Einecs 301-791-8

Structural Information

Molecular Formula
C24H22Hg2O9
SMILES
C1=CC=C(C=C1)[Hg]OC(=O)/C=C/C(=O)OCCOCCOC(=O)/C=C/C(=O)O[Hg]C2=CC=CC=C2
InChI
InChI=1S/C12H14O9.2C6H5.2Hg/c13-9(14)1-3-11(17)20-7-5-19-6-8-21-12(18)4-2-10(15)16;2*1-2-4-6-5-3-1;;/h1-4H,5-8H2,(H,13,14)(H,15,16);2*1-5H;;/q;;;2*+1/p-2/b3-1+,4-2+;;;;
InChIKey
BEMCOZJLAXTSFU-YWUQBMRFSA-L
Compound name
[(E)-4-oxo-4-[2-[2-[(E)-4-oxo-4-(phenylmercuriooxy)but-2-enoyl]oxyethoxy]ethoxy]but-2-enoyl]oxy-phenylmercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

858.0677 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 859.07498 269.3
[M+Na]+ 881.05692 275.1
[M+NH4]+ 876.10152 268.6
[M+K]+ 897.03086 267.6
[M-H]- 857.06042 267.0
[M+Na-2H]- 879.04237 267.7
[M]+ 858.06715 268.5
[M]- 858.06825 268.5
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.