CID 3077813

135587-12-1

Structural Information

Molecular Formula
C12H16F8INO3Si
SMILES
C1CO[Si]2(OCCN1CCO2)C(CC(C(C(C(F)F)(F)F)(F)F)(F)F)I
InChI
InChI=1S/C12H16F8INO3Si/c13-9(14)11(17,18)12(19,20)10(15,16)7-8(21)26-23-4-1-22(2-5-24-26)3-6-25-26/h8-9H,1-7H2
InChIKey
ATTJAAXCEFIJKN-UHFFFAOYSA-N
Compound name
1-(3,3,4,4,5,5,6,6-octafluoro-1-iodohexyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

528.9816 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.98888 169.9
[M+Na]+ 551.97082 169.9
[M+NH4]+ 547.01542 169.9
[M+K]+ 567.94476 169.9
[M-H]- 527.97432 169.9
[M+Na-2H]- 549.95627 169.9
[M]+ 528.98105 169.9
[M]- 528.98215 169.9
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.