CID 2782205

1-(perfluoro-n-octyl)decane

Structural Information

Molecular Formula
C18H21F17
SMILES
CCCCCCCCCCC(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/C18H21F17/c1-2-3-4-5-6-7-8-9-10-11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)17(31,32)18(33,34)35/h2-10H2,1H3
InChIKey
QHOQQFYKDKRESO-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorooctadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

560.1372 Da
Monoisotopic Mass

11.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 561.14448 164.1
[M+Na]+ 583.12642 164.2
[M+NH4]+ 578.17102 163.9
[M+K]+ 599.10036 164.3
[M-H]- 559.12992 162.7
[M+Na-2H]- 581.11187 164.2
[M]+ 560.13665 163.6
[M]- 560.13775 163.6
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

patents stripe