CID 5051020

N,n-diethyl-2,2,3,3,4,4,4-heptafluorobutanamide

Structural Information

Molecular Formula
C8H10F7NO
SMILES
CCN(CC)C(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H10F7NO/c1-3-16(4-2)5(17)6(9,10)7(11,12)8(13,14)15/h3-4H2,1-2H3
InChIKey
WIPXBLARPSEZAV-UHFFFAOYSA-N
Compound name
N,N-diethyl-2,2,3,3,4,4,4-heptafluorobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

269.06506 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.07234 176.6
[M+Na]+ 292.05428 178.2
[M+NH4]+ 287.09888 177.0
[M+K]+ 308.02822 175.6
[M-H]- 268.05778 167.9
[M+Na-2H]- 290.03973 174.0
[M]+ 269.06451 173.9
[M]- 269.06561 173.9
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