CID 16682932

Phenylmercuric propionate

Structural Information

Molecular Formula
C9H10HgO2
SMILES
CCC(=O)O[Hg]C1=CC=CC=C1
InChI
InChI=1S/C6H5.C3H6O2.Hg/c1-2-4-6-5-3-1;1-2-3(4)5;/h1-5H;2H2,1H3,(H,4,5);/q;;+1/p-1
InChIKey
OOCYPIXCHKROMD-UHFFFAOYSA-M
Compound name
phenyl(propanoyloxy)mercury
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1854
Patents

352.03873 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.046006 172.0
[M+Na]+ 375.027948 177.5
[M-H]- 351.031454 174.0
[M+NH4]+ 370.072553 190.5
[M+K]+ 391.001888 175.2
[M+H-H2O]+ 335.035990 164.1
[M+HCOO]- 397.036931 193.8
[M+CH3COO]- 411.052581 185.2
[M+Na-2H]- 373.013396 174.4
[M]+ 352.03818142 173.8
[M]- 352.03927858 173.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe