CID 3077816

Brn 5364737

Structural Information

Molecular Formula
C14H15F13INO3Si
SMILES
C1CO[Si]2(OCCN1CCO2)C(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I
InChI
InChI=1S/C14H15F13INO3Si/c15-9(16,7-8(28)33-30-4-1-29(2-5-31-33)3-6-32-33)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h8H,1-7H2
InChIKey
XBDVKTKILQXMOM-UHFFFAOYSA-N
Compound name
1-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-iodooctyl)-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

646.9658 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 647.97308 114.7
[M+Na]+ 669.95502 114.7
[M-H]- 645.95852 114.6
[M+NH4]+ 664.99962 114.7
[M+K]+ 685.92896 114.7
[M+H-H2O]+ 629.96306 114.6
[M+HCOO]- 691.96400 114.6
[M+CH3COO]- 705.97965 254.2
[M+Na-2H]- 667.94047 114.5
[M]+ 646.96525 114.6
[M]- 646.96635 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.