CID 52991875

176979-17-2

Structural Information

Molecular Formula
C18H20F17I
SMILES
CCCCCCCCC(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/C18H20F17I/c1-2-3-4-5-6-7-8-10(36)9-11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)17(31,32)18(33,34)35/h10H,2-9H2,1H3
InChIKey
PGTZMAVZAHEJCS-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-iodooctadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

686.0338 Da
Monoisotopic Mass

11.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 687.04108 165.2
[M+Na]+ 709.02302 165.0
[M+NH4]+ 704.06762 164.8
[M+K]+ 724.99696 165.2
[M-H]- 685.02652 163.7
[M+Na-2H]- 707.00847 164.9
[M]+ 686.03325 164.6
[M]- 686.03435 164.6
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

No patent data available for this compound.