CID 16683747

Mercury, (acetato)butyl-

Structural Information

Molecular Formula
C6H12HgO2
SMILES
CCCC[Hg]OC(=O)C
InChI
InChI=1S/C4H9.C2H4O2.Hg/c1-3-4-2;1-2(3)4;/h1,3-4H2,2H3;1H3,(H,3,4);/q;;+1/p-1
InChIKey
JICUGUCTXBWHFI-UHFFFAOYSA-M
Compound name
acetyloxy(butyl)mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

318.05438 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.061656 166.5
[M+Na]+ 341.043598 172.0
[M-H]- 317.047104 165.3
[M+NH4]+ 336.088203 186.7
[M+K]+ 357.017538 171.2
[M+H-H2O]+ 301.051640 159.9
[M+HCOO]- 363.052581 187.5
[M+CH3COO]- 377.068231 181.0
[M+Na-2H]- 339.029046 167.8
[M]+ 318.05383142 169.8
[M]- 318.05492858 169.8
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

patents stripe