CID 498870

Nsc636968

Structural Information

Molecular Formula
C12H18Cl2O4Te
SMILES
C1CCC(=O)C(C1)O[Te](OC2CCCCC2=O)(Cl)Cl
InChI
InChI=1S/C12H18Cl2O4Te/c13-19(14,17-11-7-3-1-5-9(11)15)18-12-8-4-2-6-10(12)16/h11-12H,1-8H2
InChIKey
LPJNUXSHXHDBPN-UHFFFAOYSA-N
Compound name
2-[dichloro-(2-oxocyclohexyl)oxy-lambda4-tellanyl]oxycyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.96445 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.97173 187.9
[M+Na]+ 448.95367 191.7
[M-H]- 424.95717 191.6
[M+NH4]+ 443.99827 202.2
[M+K]+ 464.92761 187.1
[M+H-H2O]+ 408.96171 181.6
[M+HCOO]- 470.96265 192.8
[M+CH3COO]- 484.97830 203.1
[M+Na-2H]- 446.93912 186.9
[M]+ 425.96390 186.2
[M]- 425.96500 186.2
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.