CID 11157582

3-(perfluorooctyl)propyl iodide

Structural Information

Molecular Formula
C11H6F17I
SMILES
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)F)CI
InChI
InChI=1S/C11H6F17I/c12-4(13,2-1-3-29)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1-3H2
InChIKey
AXUBYTAXJHIPJO-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-11-iodoundecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

51
Patents

587.92426 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 588.93154 201.5
[M+Na]+ 610.91348 207.4
[M-H]- 586.91698 205.5
[M+NH4]+ 605.95808 209.4
[M+K]+ 626.88742 215.3
[M+H-H2O]+ 570.92152 191.3
[M+HCOO]- 632.92246 220.2
[M+CH3COO]- 646.93811 240.7
[M+Na-2H]- 608.89893 198.5
[M]+ 587.92371 198.6
[M]- 587.92481 198.6
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

patents stripe