CID 3077817

Brn 5368036

Structural Information

Molecular Formula
C16H16F16INO3Si
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)I
InChI
InChI=1S/C16H16F16INO3Si/c17-9(18)11(21,22)13(25,26)15(29,30)16(31,32)14(27,28)12(23,24)10(19,20)7-8(33)38-35-4-1-34(2-5-36-38)3-6-37-38/h8-9H,1-7H2
InChIKey
JUHOKAYCHOHTFB-UHFFFAOYSA-N
Compound name
1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-hexadecafluoro-1-iododecyl)-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

728.9689 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 729.97618 114.6
[M+Na]+ 751.95812 114.7
[M-H]- 727.96162 114.6
[M+NH4]+ 747.00272 114.7
[M+K]+ 767.93206 114.7
[M+H-H2O]+ 711.96616 114.6
[M+HCOO]- 773.96710 114.6
[M+CH3COO]- 787.98275 254.2
[M+Na-2H]- 749.94357 114.5
[M]+ 728.96835 114.6
[M]- 728.96945 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.