CID 2774952

107432-46-2

Structural Information

Molecular Formula
C5F11IO
SMILES
C(C(OC(C(F)(F)F)(F)I)(F)F)(C(F)(F)F)(F)F
InChI
InChI=1S/C5F11IO/c6-1(7,2(8,9)10)4(14,15)18-5(16,17)3(11,12)13
InChIKey
WXGLHUFWWLOFCN-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3-heptafluoro-3-(1,2,2,2-tetrafluoro-1-iodoethoxy)propane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

411.8818 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.88908 157.3
[M+Na]+ 434.87102 160.6
[M-H]- 410.87452 140.0
[M+NH4]+ 429.91562 167.2
[M+K]+ 450.84496 164.0
[M+H-H2O]+ 394.87906 142.7
[M+HCOO]- 456.88000 158.3
[M+CH3COO]- 470.89565 209.7
[M+Na-2H]- 432.85647 151.0
[M]+ 411.88125 140.1
[M]- 411.88235 140.1
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

patents stripe