CID 614782

2,2,3,3,4,4,4-heptafluoro-n-propylbutanamide

Structural Information

Molecular Formula
C7H8F7NO
SMILES
CCCNC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H8F7NO/c1-2-3-15-4(16)5(8,9)6(10,11)7(12,13)14/h2-3H2,1H3,(H,15,16)
InChIKey
JOIQPQYVCOJAAJ-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-N-propylbutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

255.04941 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.05669 146.4
[M+Na]+ 278.03863 154.1
[M-H]- 254.04213 138.0
[M+NH4]+ 273.08323 162.8
[M+K]+ 294.01257 152.2
[M+H-H2O]+ 238.04667 136.6
[M+HCOO]- 300.04761 158.1
[M+CH3COO]- 314.06326 196.8
[M+Na-2H]- 276.02408 150.1
[M]+ 255.04886 136.2
[M]- 255.04996 136.2
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.