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

1
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

literature stripe

Patent stripe

patents stripe