CID 138395036

Perfluoro-1-(tetrafluoroiodo)-1-octyne

Structural Information

Molecular Formula
C8F17I
SMILES
C(#CI(F)(F)(F)F)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8F17I/c9-3(10,1-2-26(22,23,24)25)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21
InChIKey
YQFCZNFNVSOIRK-UHFFFAOYSA-N
Compound name
tetrafluoro(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ynyl)-lambda5-iodane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

545.8773 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 546.88458 164.4
[M+Na]+ 568.86652 168.7
[M-H]- 544.87002 144.1
[M+NH4]+ 563.91112 168.2
[M+K]+ 584.84046 170.7
[M+H-H2O]+ 528.87456 143.5
[M+HCOO]- 590.87550 156.1
[M+CH3COO]- 604.89115 233.6
[M+Na-2H]- 566.85197 155.9
[M]+ 545.87675 135.4
[M]- 545.87785 135.4
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.