CID 13906859

38550-35-5

Structural Information

Molecular Formula
C11H6F17I
SMILES
CC(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)I
InChI
InChI=1S/C11H6F17I/c1-3(29)2-4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h3H,2H2,1H3
InChIKey
IYNXASCSZLGJOC-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-iodoundecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

587.92426 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 588.93154 203.7
[M+Na]+ 610.91348 210.1
[M-H]- 586.91698 209.0
[M+NH4]+ 605.95808 212.8
[M+K]+ 626.88742 218.3
[M+H-H2O]+ 570.92152 193.9
[M+HCOO]- 632.92246 220.5
[M+CH3COO]- 646.93811 241.2
[M+Na-2H]- 608.89893 201.1
[M]+ 587.92371 200.7
[M]- 587.92481 200.7
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

patents stripe