CID 3089665

N,n'-bis(perfluorononanoyl)1,2-ethanediamine

Structural Information

Molecular Formula
C20H6F34N2O2
SMILES
C(CNC(=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)NC(=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/C20H6F34N2O2/c21-5(22,7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)17(45,46)19(49,50)51)3(57)55-1-2-56-4(58)6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(43,44)18(47,48)20(52,53)54/h1-2H2,(H,55,57)(H,56,58)
InChIKey
ZCIGXLUYTDHBRN-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-[2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoylamino)ethyl]nonanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

951.98865 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 952.99593 231.9
[M+Na]+ 974.97787 235.0
[M-H]- 950.98137 248.0
[M+NH4]+ 970.02247 244.7
[M+K]+ 990.95181 250.2
[M+H-H2O]+ 934.98591 218.8
[M+HCOO]- 996.98685 242.6
[M+CH3COO]- 1011.0025 280.2
[M+Na-2H]- 972.96332 234.9
[M]+ 951.98810 225.7
[M]- 951.98920 225.7
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.