CID 51056781

Dtxsid60897473

Structural Information

Molecular Formula
C22H12F30N2O2
SMILES
C1CC[C@H]([C@@H](C1)NC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)NC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C22H12F30N2O2/c23-9(24,11(27,28)13(31,32)15(35,36)17(39,40)19(43,44)21(47,48)49)7(55)53-5-3-1-2-4-6(5)54-8(56)10(25,26)12(29,30)14(33,34)16(37,38)18(41,42)20(45,46)22(50,51)52/h5-6H,1-4H2,(H,53,55)(H,54,56)/t5-,6-/m1/s1
InChIKey
LLSBOJTWEURFBT-PHDIDXHHSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[(1R,2R)-2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoylamino)cyclohexyl]octanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

906.042 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 907.04928 152.5
[M+Na]+ 929.03122 152.5
[M+NH4]+ 924.07582 152.5
[M+K]+ 945.00516 152.5
[M-H]- 905.03472 152.5
[M+Na-2H]- 927.01667 152.5
[M]+ 906.04145 152.5
[M]- 906.04255 152.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.