CID 3817196

149981-59-9

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
2
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 169.1
[M+Na]+ 489.02544 178.7
[M-H]- 465.02894 179.0
[M+NH4]+ 484.07004 177.6
[M+K]+ 504.99938 181.8
[M+H-H2O]+ 449.03348 160.6
[M+HCOO]- 511.03442 183.3
[M+CH3COO]- 525.05007 234.5
[M+Na-2H]- 487.01089 167.7
[M]+ 466.03567 162.5
[M]- 466.03677 162.5
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.