CID 99769079

Dtxsid90895326

Structural Information

Molecular Formula
C18H20F18
SMILES
C(CCCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C18H20F18/c19-11(20,13(23,24)15(27,28)17(31,32)33)9-7-5-3-1-2-4-6-8-10-12(21,22)14(25,26)16(29,30)18(34,35)36/h1-10H2
InChIKey
UNNUZQVXLSJZPN-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,15,15,16,16,17,17,18,18,18-octadecafluorooctadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

578.12775 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 579.13503 161.4
[M+Na]+ 601.11697 161.6
[M+NH4]+ 596.16157 161.3
[M+K]+ 617.09091 161.9
[M-H]- 577.12047 160.5
[M+Na-2H]- 599.10242 161.9
[M]+ 578.12720 161.2
[M]- 578.12830 161.2
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

No patent data available for this compound.