CID 12040286

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-n-(2-hydroxyethyl)octanamide

Structural Information

Molecular Formula
C10H6F15NO2
SMILES
C(CO)NC(=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/C10H6F15NO2/c11-4(12,3(28)26-1-2-27)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h27H,1-2H2,(H,26,28)
InChIKey
ZATOFJIVPAZTIE-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2-hydroxyethyl)octanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

24
Patents

457.0159 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.02318 160.9
[M+Na]+ 480.00512 167.7
[M-H]- 456.00862 168.7
[M+NH4]+ 475.04972 167.9
[M+K]+ 495.97906 172.8
[M+H-H2O]+ 440.01316 150.7
[M+HCOO]- 502.01410 177.6
[M+CH3COO]- 516.02975 229.8
[M+Na-2H]- 477.99057 159.5
[M]+ 457.01535 156.7
[M]- 457.01645 156.7
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.