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
2
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 242.7
[M+Na]+ 1031.0404 245.4
[M-H]- 1007.0439 258.2
[M+NH4]+ 1026.0850 255.5
[M+K]+ 1047.0144 261.4
[M+H-H2O]+ 991.04846 229.3
[M+HCOO]- 1053.0494 252.5
[M+CH3COO]- 1067.0651 285.2
[M+Na-2H]- 1029.0259 244.5
[M]+ 1008.0507 236.6
[M]- 1008.0517 236.6
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.