CID 534742

2,2,3,3,4,4,4-heptafluoro-n-(2-methylpropyl)butanamide

Structural Information

Molecular Formula
C8H10F7NO
SMILES
CC(C)CNC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H10F7NO/c1-4(2)3-16-5(17)6(9,10)7(11,12)8(13,14)15/h4H,3H2,1-2H3,(H,16,17)
InChIKey
HWSOCRJXRIBNPB-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-N-(2-methylpropyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.06506 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.07234 175.9
[M+Na]+ 292.05428 177.2
[M+NH4]+ 287.09888 176.1
[M+K]+ 308.02822 174.8
[M-H]- 268.05778 166.9
[M+Na-2H]- 290.03973 173.0
[M]+ 269.06451 173.0
[M]- 269.06561 173.0
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.