CID 3077818

Brn 5368731

Structural Information

Molecular Formula
C16H15F17INO3Si
SMILES
C1CO[Si]2(OCCN1CCO2)C(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I
InChI
InChI=1S/C16H15F17INO3Si/c17-9(18,7-8(34)39-36-4-1-35(2-5-37-39)3-6-38-39)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h8H,1-7H2
InChIKey
AENHPCRNEPBZQL-UHFFFAOYSA-N
Compound name
1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododecyl)-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

746.9595 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 747.96678 114.6
[M+Na]+ 769.94872 114.6
[M-H]- 745.95222 114.6
[M+NH4]+ 764.99332 114.6
[M+K]+ 785.92266 114.6
[M+H-H2O]+ 729.95676 114.5
[M+HCOO]- 791.95770 114.5
[M+CH3COO]- 805.97335 254.2
[M+Na-2H]- 767.93417 114.4
[M]+ 746.95895 114.5
[M]- 746.96005 114.5
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.