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

53
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

literature stripe

Patent stripe

patents stripe