CID 138394745

Einecs 301-792-3

Structural Information

Molecular Formula
C32H26Hg2O9
SMILES
C1=CC=C(C=C1)[Hg]OC(=O)C2=CC=CC=C2C(=O)OCCOCCOC(=O)C3=CC=CC=C3C(=O)O[Hg]C4=CC=CC=C4
InChI
InChI=1S/C20H18O9.2C6H5.2Hg/c21-17(22)13-5-1-3-7-15(13)19(25)28-11-9-27-10-12-29-20(26)16-8-4-2-6-14(16)18(23)24;2*1-2-4-6-5-3-1;;/h1-8H,9-12H2,(H,21,22)(H,23,24);2*1-5H;;/q;;;2*+1/p-2
InChIKey
OMNHRGVZCRDKHO-UHFFFAOYSA-L
Compound name
phenyl-[2-[2-[2-[2-(phenylmercuriooxycarbonyl)benzoyl]oxyethoxy]ethoxycarbonyl]benzoyl]oxymercury
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

958.099 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 959.10628 294.9
[M+Na]+ 981.08822 305.3
[M+NH4]+ 976.13282 295.7
[M+K]+ 997.06216 295.5
[M-H]- 957.09172 298.9
[M+Na-2H]- 979.07367 299.1
[M]+ 958.09845 297.1
[M]- 958.09955 297.1
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.