CID 52706

Trans-chloro(2-hexanamidocyclohexyl)mercury

Structural Information

Molecular Formula
C12H22ClHgNO
SMILES
CCCCCC(=O)N[C@@H]1CCCC[C@H]1[Hg]Cl
InChI
InChI=1S/C12H22NO.ClH.Hg/c1-2-3-5-10-12(14)13-11-8-6-4-7-9-11;;/h8,11H,2-7,9-10H2,1H3,(H,13,14);1H;/q;;+1/p-1/t11-;;/m0../s1
InChIKey
VBEKGODBPGBJNJ-IDMXKUIJSA-M
Compound name
chloro-[(1R,2R)-2-(hexanoylamino)cyclohexyl]mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.10965 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.11693 197.3
[M+Na]+ 456.09887 199.3
[M-H]- 432.10237 197.6
[M+NH4]+ 451.14347 213.0
[M+K]+ 472.07281 194.2
[M+H-H2O]+ 416.10691 189.6
[M+HCOO]- 478.10785 209.8
[M+CH3COO]- 492.12350 203.1
[M+Na-2H]- 454.08432 194.1
[M]+ 433.10910 196.0
[M]- 433.11020 196.0
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.