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

1
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

patents stripe