CID 3077814

135587-13-2

Structural Information

Molecular Formula
C12H15F9INO3Si
SMILES
C1CO[Si]2(OCCN1CCO2)C(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)I
InChI
InChI=1S/C12H15F9INO3Si/c13-9(14,10(15,16)11(17,18)12(19,20)21)7-8(22)27-24-4-1-23(2-5-25-27)3-6-26-27/h8H,1-7H2
InChIKey
LZXRMBONGPXFCO-UHFFFAOYSA-N
Compound name
1-(3,3,4,4,5,5,6,6,6-nonafluoro-1-iodohexyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

546.9722 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.97948 169.9
[M+Na]+ 569.96142 169.9
[M+NH4]+ 565.00602 169.9
[M+K]+ 585.93536 169.9
[M-H]- 545.96492 169.9
[M+Na-2H]- 567.94687 169.9
[M]+ 546.97165 169.9
[M]- 546.97275 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.