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
2
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 179.3
[M+Na]+ 541.07942 184.7
[M-H]- 517.08292 182.5
[M+NH4]+ 536.12402 187.1
[M+K]+ 557.05336 194.0
[M+H-H2O]+ 501.08746 168.5
[M+HCOO]- 563.08840 198.5
[M+CH3COO]- 577.10405 243.7
[M+Na-2H]- 539.06487 177.0
[M]+ 518.08965 178.1
[M]- 518.09075 178.1
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