CID 3089662

N,n'-bis(perfluorononanoyl)1,6-hexanediamine

Structural Information

Molecular Formula
C24H14F34N2O2
SMILES
C(CCCNC(=O)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)CCNC(=O)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
InChI
InChI=1S/C24H14F34N2O2/c25-9(26,11(29,30)13(33,34)15(37,38)17(41,42)19(45,46)21(49,50)23(53,54)55)7(61)59-5-3-1-2-4-6-60-8(62)10(27,28)12(31,32)14(35,36)16(39,40)18(43,44)20(47,48)22(51,52)24(56,57)58/h1-6H2,(H,59,61)(H,60,62)
InChIKey
ITKZNLZORZOOLJ-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-[6-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoylamino)hexyl]nonanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1008.0512 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1009.0585 152.5
[M+Na]+ 1031.0404 152.5
[M+NH4]+ 1026.0850 152.5
[M+K]+ 1047.0144 152.5
[M-H]- 1007.0439 152.5
[M+Na-2H]- 1029.0259 152.5
[M]+ 1008.0507 152.5
[M]- 1008.0517 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.