CID 3040312

52030-11-2

Structural Information

Molecular Formula
C17H24F3NO
SMILES
CCCC(CCC)C(C)NC(=O)C1=CC=CC=C1C(F)(F)F
InChI
InChI=1S/C17H24F3NO/c1-4-8-13(9-5-2)12(3)21-16(22)14-10-6-7-11-15(14)17(18,19)20/h6-7,10-13H,4-5,8-9H2,1-3H3,(H,21,22)
InChIKey
IZHBNSXCJSQFST-UHFFFAOYSA-N
Compound name
N-(3-propylhexan-2-yl)-2-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.181 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.18828 175.7
[M+Na]+ 338.17022 180.0
[M-H]- 314.17372 174.4
[M+NH4]+ 333.21482 189.9
[M+K]+ 354.14416 176.6
[M+H-H2O]+ 298.17826 166.3
[M+HCOO]- 360.17920 191.2
[M+CH3COO]- 374.19485 212.3
[M+Na-2H]- 336.15567 174.3
[M]+ 315.18045 172.7
[M]- 315.18155 172.7
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.