CID 20027938

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoropentadecane

Structural Information

Molecular Formula
C15H15F17
SMILES
CCCCCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C15H15F17/c1-2-3-4-5-6-7-8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h2-7H2,1H3
InChIKey
UKTBRZQVLVYOAA-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoropentadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

518.0902 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.09748 163.5
[M+Na]+ 541.07942 163.6
[M+NH4]+ 536.12402 163.3
[M+K]+ 557.05336 163.8
[M-H]- 517.08292 162.1
[M+Na-2H]- 539.06487 163.7
[M]+ 518.08965 163.1
[M]- 518.09075 163.1
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