CID 3817196

N,n'-bis(perfluorobutanoyl)1,3-propanediamine

Structural Information

Molecular Formula
C11H8F14N2O2
SMILES
C(CNC(=O)C(C(C(F)(F)F)(F)F)(F)F)CNC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H8F14N2O2/c12-6(13,8(16,17)10(20,21)22)4(28)26-2-1-3-27-5(29)7(14,15)9(18,19)11(23,24)25/h1-3H2,(H,26,28)(H,27,29)
InChIKey
FLHPCAVTMZPEEL-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-N-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.03622 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.04350 174.9
[M+Na]+ 489.02544 174.6
[M+NH4]+ 484.07004 174.0
[M+K]+ 504.99938 174.0
[M-H]- 465.02894 171.2
[M+Na-2H]- 487.01089 173.6
[M]+ 466.03567 173.6
[M]- 466.03677 173.6
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.