CID 2782209

1-(perfluoro-n-octyl)dodecane

Structural Information

Molecular Formula
C20H25F17
SMILES
CCCCCCCCCCCCC(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/C20H25F17/c1-2-3-4-5-6-7-8-9-10-11-12-13(21,22)14(23,24)15(25,26)16(27,28)17(29,30)18(31,32)19(33,34)20(35,36)37/h2-12H2,1H3
InChIKey
XYGYVZPNAGJLRE-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoroicosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

588.16846 Da
Monoisotopic Mass

12.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 589.17574 164.5
[M+Na]+ 611.15768 164.5
[M+NH4]+ 606.20228 164.2
[M+K]+ 627.13162 164.6
[M-H]- 587.16118 163.0
[M+Na-2H]- 609.14313 164.6
[M]+ 588.16791 164.0
[M]- 588.16901 164.0
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