CID 218554

40784-83-6

Structural Information

Molecular Formula
C16H22F3NO
SMILES
CCCC(CCC)CNC(=O)C1=CC=CC=C1C(F)(F)F
InChI
InChI=1S/C16H22F3NO/c1-3-7-12(8-4-2)11-20-15(21)13-9-5-6-10-14(13)16(17,18)19/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,20,21)
InChIKey
LKFRLOSJHSLCJO-UHFFFAOYSA-N
Compound name
N-(2-propylpentyl)-2-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.16534 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.17262 171.3
[M+Na]+ 324.15456 176.2
[M-H]- 300.15806 170.1
[M+NH4]+ 319.19916 186.1
[M+K]+ 340.12850 172.5
[M+H-H2O]+ 284.16260 161.9
[M+HCOO]- 346.16354 188.1
[M+CH3COO]- 360.17919 208.5
[M+Na-2H]- 322.14001 171.6
[M]+ 301.16479 168.5
[M]- 301.16589 168.5
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.