CID 71325636

89685-57-4

Structural Information

Molecular Formula
C10H6F15NO
SMILES
CCNC(=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/C10H6F15NO/c1-2-26-3(27)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h2H2,1H3,(H,26,27)
InChIKey
XSXMZXBMPHWDLH-UHFFFAOYSA-N
Compound name
N-ethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

441.021 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.02828 162.1
[M+Na]+ 464.01022 170.2
[M-H]- 440.01372 169.7
[M+NH4]+ 459.05482 170.5
[M+K]+ 479.98416 175.3
[M+H-H2O]+ 424.01826 168.6
[M+HCOO]- 486.01920 180.2
[M+CH3COO]- 500.03485 230.4
[M+Na-2H]- 461.99567 185.4
[M]+ 441.02045 159.2
[M]- 441.02155 159.2
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.