CID 16684168

Phenylmercury 2-ethylhexanoate

Structural Information

Molecular Formula
C14H20HgO2
SMILES
CCCCC(CC)C(=O)O[Hg]C1=CC=CC=C1
InChI
InChI=1S/C8H16O2.C6H5.Hg/c1-3-5-6-7(4-2)8(9)10;1-2-4-6-5-3-1;/h7H,3-6H2,1-2H3,(H,9,10);1-5H;/q;;+1/p-1
InChIKey
XVASSELVJHUACE-UHFFFAOYSA-M
Compound name
2-ethylhexanoyloxy(phenyl)mercury
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

422.11697 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.12425 195.7
[M+Na]+ 445.10619 198.8
[M-H]- 421.10969 196.8
[M+NH4]+ 440.15079 211.2
[M+K]+ 461.08013 195.6
[M+H-H2O]+ 405.11423 186.8
[M+HCOO]- 467.11517 214.7
[M+CH3COO]- 481.13082 201.1
[M+Na-2H]- 443.09164 194.0
[M]+ 422.11642 198.6
[M]- 422.11752 198.6
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