CID 138395075

N,n'-bis(perfluorooctanoyl)-1,2-cyclohexanediamine

Structural Information

Molecular Formula
C22H16F30N2O2
SMILES
C1CCC(C(C1)NC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)NC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C22H16F30N2O2/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/h5-8,53-56H,1-4H2
InChIKey
XXSCNRBBJCKWNZ-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-[[2-[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-hydroxyoctyl)amino]cyclohexyl]amino]octan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

910.07324 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 911.08052 152.5
[M+Na]+ 933.06246 152.5
[M+NH4]+ 928.10706 152.5
[M+K]+ 949.03640 152.5
[M-H]- 909.06596 152.5
[M+Na-2H]- 931.04791 152.5
[M]+ 910.07269 152.5
[M]- 910.07379 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.