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
2
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 150.1
[M+Na]+ 292.05428 157.6
[M-H]- 268.05778 143.1
[M+NH4]+ 287.09888 166.6
[M+K]+ 308.02822 156.9
[M+H-H2O]+ 252.06232 140.0
[M+HCOO]- 314.06326 162.0
[M+CH3COO]- 328.07891 203.2
[M+Na-2H]- 290.03973 152.7
[M]+ 269.06451 141.5
[M]- 269.06561 141.5
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