CID 614791

N-decyl-2,2,3,3,4,4,4-heptafluorobutanamide

Structural Information

Molecular Formula
C14H22F7NO
SMILES
CCCCCCCCCCNC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H22F7NO/c1-2-3-4-5-6-7-8-9-10-22-11(23)12(15,16)13(17,18)14(19,20)21/h2-10H2,1H3,(H,22,23)
InChIKey
MJKJTIXPWVPDKF-UHFFFAOYSA-N
Compound name
N-decyl-2,2,3,3,4,4,4-heptafluorobutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

353.15897 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.16625 179.2
[M+Na]+ 376.14819 184.0
[M-H]- 352.15169 169.5
[M+NH4]+ 371.19279 191.7
[M+K]+ 392.12213 180.4
[M+H-H2O]+ 336.15623 168.0
[M+HCOO]- 398.15717 188.6
[M+CH3COO]- 412.17282 217.4
[M+Na-2H]- 374.13364 179.3
[M]+ 353.15842 171.6
[M]- 353.15952 171.6
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.