CID 614724

2,2,3,3,4,4,4-heptafluoro-n-pentylbutanamide

Structural Information

Molecular Formula
C9H12F7NO
SMILES
CCCCCNC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H12F7NO/c1-2-3-4-5-17-6(18)7(10,11)8(12,13)9(14,15)16/h2-5H2,1H3,(H,17,18)
InChIKey
RXZZJNFYVKKCJW-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-N-pentylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.08072 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.08800 178.5
[M+Na]+ 306.06994 179.8
[M+NH4]+ 301.11454 178.7
[M+K]+ 322.04388 176.8
[M-H]- 282.07344 169.6
[M+Na-2H]- 304.05539 175.6
[M]+ 283.08017 175.6
[M]- 283.08127 175.6
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.