CID 102100707

Dtxsid90896090

Structural Information

Molecular Formula
C11H8F15NO2
SMILES
CC(CNC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C11H8F15NO2/c1-3(28)2-27-4(29)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h3,28H,2H2,1H3,(H,27,29)
InChIKey
DCJKBXFEWSPSGU-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2-hydroxypropyl)octanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

471.03156 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.03884 166.6
[M+Na]+ 494.02078 173.6
[M-H]- 470.02428 175.4
[M+NH4]+ 489.06538 174.9
[M+K]+ 509.99472 179.5
[M+H-H2O]+ 454.02882 156.7
[M+HCOO]- 516.02976 180.8
[M+CH3COO]- 530.04541 233.1
[M+Na-2H]- 492.00623 165.2
[M]+ 471.03101 162.3
[M]- 471.03211 162.3
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

patents stripe