CID 3086841

Brn 5337900

Structural Information

Molecular Formula
C9H15F3INO3Si
SMILES
C1CO[Si]2(OCCN1CCO2)C(CC(F)(F)F)I
InChI
InChI=1S/C9H15F3INO3Si/c10-9(11,12)7-8(13)18-15-4-1-14(2-5-16-18)3-6-17-18/h8H,1-7H2
InChIKey
REHIOHLQSDYMGH-UHFFFAOYSA-N
Compound name
1-(3,3,3-trifluoro-1-iodopropyl)-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

396.9818 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.98908 114.6
[M+Na]+ 419.97102 114.7
[M-H]- 395.97452 114.6
[M+NH4]+ 415.01562 114.7
[M+K]+ 435.94496 114.7
[M+H-H2O]+ 379.97906 114.6
[M+HCOO]- 441.98000 114.6
[M+CH3COO]- 455.99565 114.6
[M+Na-2H]- 417.95647 114.5
[M]+ 396.98125 114.6
[M]- 396.98235 114.6
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.