CID 163198785

Koyktjbgtddhht-uhfffaoysa-n

Structural Information

Molecular Formula
C11H6F15NO2
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)C=O
InChI
InChI=1S/C11H6F15NO2/c12-5(13,4(29)27-2-1-3-28)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h3H,1-2H2,(H,27,29)
InChIKey
KOYKTJBGTDDHHT-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(3-oxopropyl)octanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

469.0159 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.023176 164.5
[M+Na]+ 492.005118 172.4
[M-H]- 468.008624 172.9
[M+NH4]+ 487.049723 173.7
[M+K]+ 507.979058 177.5
[M+H-H2O]+ 452.013160 155.2
[M+HCOO]- 514.014101 182.8
[M+CH3COO]- 528.029751 233.7
[M+Na-2H]- 489.990566 163.6
[M]+ 469.01535142 161.2
[M]- 469.01644858 161.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.