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
2
Annotation Hits

0
References

29
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 190.2
[M+Na]+ 583.12642 195.2
[M-H]- 559.12992 192.6
[M+NH4]+ 578.17102 198.0
[M+K]+ 599.10036 205.5
[M+H-H2O]+ 543.13446 179.0
[M+HCOO]- 605.13540 208.4
[M+CH3COO]- 619.15105 251.1
[M+Na-2H]- 581.11187 186.6
[M]+ 560.13665 188.8
[M]- 560.13775 188.8
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