CID 16685149

2-methyl-2-phenylpropylmercuri acetate

Structural Information

Molecular Formula
C12H16HgO2
SMILES
CC(=O)O[Hg]CC(C)(C)C1=CC=CC=C1
InChI
InChI=1S/C10H13.C2H4O2.Hg/c1-10(2,3)9-7-5-4-6-8-9;1-2(3)4;/h4-8H,1H2,2-3H3;1H3,(H,3,4);/q;;+1/p-1
InChIKey
GTSRYGVMMICJIU-UHFFFAOYSA-M
Compound name
acetyloxy-(2-methyl-2-phenylpropyl)mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.08566 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.09294 185.7
[M+Na]+ 417.07488 190.4
[M-H]- 393.07838 187.5
[M+NH4]+ 412.11948 202.6
[M+K]+ 433.04882 187.8
[M+H-H2O]+ 377.08292 177.9
[M+HCOO]- 439.08386 204.9
[M+CH3COO]- 453.09951 194.6
[M+Na-2H]- 415.06033 187.2
[M]+ 394.08511 188.2
[M]- 394.08621 188.2
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.