CID 99769065

Dtxsid60895378

Structural Information

Molecular Formula
C18H16F22
SMILES
C(CCCCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C18H16F22/c19-9(20,11(23,24)13(27,28)15(31,32)17(35,36)37)7-5-3-1-2-4-6-8-10(21,22)12(25,26)14(29,30)16(33,34)18(38,39)40/h1-8H2
InChIKey
HCYPERYYAZDFLK-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,14,14,15,15,16,16,17,17,18,18,18-docosafluorooctadecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

650.0901 Da
Monoisotopic Mass

11.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 651.09738 197.3
[M+Na]+ 673.07932 201.3
[M-H]- 649.08282 203.0
[M+NH4]+ 668.12392 206.9
[M+K]+ 689.05326 214.4
[M+H-H2O]+ 633.08736 184.8
[M+HCOO]- 695.08830 214.9
[M+CH3COO]- 709.10395 260.8
[M+Na-2H]- 671.06477 195.6
[M]+ 650.08955 194.9
[M]- 650.09065 194.9
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.