CID 16684344

Benzylmercuriacetate

Structural Information

Molecular Formula
C9H10HgO2
SMILES
CC(=O)O[Hg]CC1=CC=CC=C1
InChI
InChI=1S/C7H7.C2H4O2.Hg/c1-7-5-3-2-4-6-7;1-2(3)4;/h2-6H,1H2;1H3,(H,3,4);/q;;+1/p-1
InChIKey
OXYDASMLWQHHOP-UHFFFAOYSA-M
Compound name
acetyloxy(benzyl)mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
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