CID 9882812

9,9,9-trifluoro-8-oxo-n-phenylnonanamide

Structural Information

Molecular Formula
C15H18F3NO2
SMILES
C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)C(F)(F)F
InChI
InChI=1S/C15H18F3NO2/c16-15(17,18)13(20)10-6-1-2-7-11-14(21)19-12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11H2,(H,19,21)
InChIKey
KRCXZGYVOZSCSF-UHFFFAOYSA-N
Compound name
9,9,9-trifluoro-8-oxo-N-phenylnonanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

84
Patents

301.12897 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.13625 168.7
[M+Na]+ 324.11819 173.3
[M-H]- 300.12169 167.3
[M+NH4]+ 319.16279 183.0
[M+K]+ 340.09213 169.8
[M+H-H2O]+ 284.12623 159.1
[M+HCOO]- 346.12717 186.3
[M+CH3COO]- 360.14282 205.4
[M+Na-2H]- 322.10364 170.4
[M]+ 301.12842 166.0
[M]- 301.12952 166.0
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

patents stripe