CID 2748487

N,n-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide

Structural Information

Molecular Formula
C13H10F17NO
SMILES
CCN(CC)C(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H10F17NO/c1-3-31(4-2)5(32)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h3-4H2,1-2H3
InChIKey
UQZCRDOKLCDJNE-UHFFFAOYSA-N
Compound name
N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

519.0491 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.05638 180.0
[M+Na]+ 542.03832 188.3
[M-H]- 518.04182 190.0
[M+NH4]+ 537.08292 192.5
[M+K]+ 558.01226 196.5
[M+H-H2O]+ 502.04636 170.6
[M+HCOO]- 564.04730 196.4
[M+CH3COO]- 578.06295 246.1
[M+Na-2H]- 540.02377 179.7
[M]+ 519.04855 177.7
[M]- 519.04965 177.7
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

No patent data available for this compound.