CID 99647736

Dtxsid10895383

Structural Information

Molecular Formula
C20H17F25
SMILES
CCCCCCCCC(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C20H17F25/c1-2-3-4-5-6-7-8-9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)17(37,38)18(39,40)19(41,42)20(43,44)45/h2-8H2,1H3
InChIKey
QELQLGDYULEYAR-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluoroicosane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

732.0931 Da
Monoisotopic Mass

12.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 733.10038 152.6
[M+Na]+ 755.08232 152.6
[M+NH4]+ 750.12692 152.6
[M+K]+ 771.05626 152.6
[M-H]- 731.08582 152.6
[M+Na-2H]- 753.06777 152.6
[M]+ 732.09255 152.6
[M]- 732.09365 152.6
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