CID 3660287

N,n-diethyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide

Structural Information

Molecular Formula
C9H10F9NO
SMILES
CCN(CC)C(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H10F9NO/c1-3-19(4-2)5(20)6(10,11)7(12,13)8(14,15)9(16,17)18/h3-4H2,1-2H3
InChIKey
WBUMDKALJWQLNV-UHFFFAOYSA-N
Compound name
N,N-diethyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

319.06186 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.06914 159.6
[M+Na]+ 342.05108 167.2
[M-H]- 318.05458 150.4
[M+NH4]+ 337.09568 173.8
[M+K]+ 358.02502 166.0
[M+H-H2O]+ 302.05912 148.1
[M+HCOO]- 364.06006 167.5
[M+CH3COO]- 378.07571 212.4
[M+Na-2H]- 340.03653 161.7
[M]+ 319.06131 147.8
[M]- 319.06241 147.8
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.