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 285.7
[M+Na]+ 881.05692 283.2
[M-H]- 857.06042 286.8
[M+NH4]+ 876.10152 287.0
[M+K]+ 897.03086 279.5
[M+H-H2O]+ 841.06496 271.0
[M+HCOO]- 903.06590 300.2
[M+CH3COO]- 917.08155 245.3
[M+Na-2H]- 879.04237 275.9
[M]+ 858.06715 294.0
[M]- 858.06825 294.0
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.