CID 3077814

Brn 5357774

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
3
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 114.7
[M+Na]+ 569.96142 114.7
[M-H]- 545.96492 114.7
[M+NH4]+ 565.00602 114.7
[M+K]+ 585.93536 114.7
[M+H-H2O]+ 529.96946 114.6
[M+HCOO]- 591.97040 114.6
[M+CH3COO]- 605.98605 254.2
[M+Na-2H]- 567.94687 114.5
[M]+ 546.97165 114.7
[M]- 546.97275 114.7
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.