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]+ 470.02318 164.5
[M+Na]+ 492.00512 172.4
[M-H]- 468.00862 172.9
[M+NH4]+ 487.04972 173.7
[M+K]+ 507.97906 177.5
[M+H-H2O]+ 452.01316 155.2
[M+HCOO]- 514.01410 182.8
[M+CH3COO]- 528.02975 233.7
[M+Na-2H]- 489.99057 163.6
[M]+ 469.01535 161.2
[M]- 469.01645 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.