CID 3077815

Brn 5363520

Structural Information

Molecular Formula
C14H16F12INO3Si
SMILES
C1CO[Si]2(OCCN1CCO2)C(CC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I
InChI
InChI=1S/C14H16F12INO3Si/c15-9(16)11(19,20)13(23,24)14(25,26)12(21,22)10(17,18)7-8(27)32-29-4-1-28(2-5-30-32)3-6-31-32/h8-9H,1-7H2
InChIKey
MYTVWGLABHKPKR-UHFFFAOYSA-N
Compound name
1-(3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-1-iodooctyl)-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

628.9753 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 629.98258 114.7
[M+Na]+ 651.96452 114.8
[M-H]- 627.96802 114.7
[M+NH4]+ 647.00912 114.7
[M+K]+ 667.93846 114.8
[M+H-H2O]+ 611.97256 114.6
[M+HCOO]- 673.97350 114.7
[M+CH3COO]- 687.98915 254.2
[M+Na-2H]- 649.94997 114.5
[M]+ 628.97475 114.7
[M]- 628.97585 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.