CID 3746335

N,n'-(propane-1,3-diyl)bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide)

Structural Information

Molecular Formula
C19H8F30N2O2
SMILES
C(CNC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CNC(=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/C19H8F30N2O2/c20-6(21,8(24,25)10(28,29)12(32,33)14(36,37)16(40,41)18(44,45)46)4(52)50-2-1-3-51-5(53)7(22,23)9(26,27)11(30,31)13(34,35)15(38,39)17(42,43)19(47,48)49/h1-3H2,(H,50,52)(H,51,53)
InChIKey
DVEYKCZOFBIPNL-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoylamino)propyl]octanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

866.0107 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 867.01798 220.0
[M+Na]+ 888.99992 224.0
[M-H]- 865.00342 236.0
[M+NH4]+ 884.04452 233.2
[M+K]+ 904.97386 238.9
[M+H-H2O]+ 849.00796 206.3
[M+HCOO]- 911.00890 231.5
[M+CH3COO]- 925.02455 278.2
[M+Na-2H]- 886.98537 221.9
[M]+ 866.01015 214.3
[M]- 866.01125 214.3
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.