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
2
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 150.2
[M+Na]+ 292.05428 157.4
[M-H]- 268.05778 141.8
[M+NH4]+ 287.09888 166.0
[M+K]+ 308.02822 155.8
[M+H-H2O]+ 252.06232 140.4
[M+HCOO]- 314.06326 160.7
[M+CH3COO]- 328.07891 200.5
[M+Na-2H]- 290.03973 152.4
[M]+ 269.06451 139.7
[M]- 269.06561 139.7
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.