CID 218521

N-(1-propylbutyl)-2-(trifluoromethyl)benzamide

Structural Information

Molecular Formula
C15H20F3NO
SMILES
CCCC(CCC)NC(=O)C1=CC=CC=C1C(F)(F)F
InChI
InChI=1S/C15H20F3NO/c1-3-7-11(8-4-2)19-14(20)12-9-5-6-10-13(12)15(16,17)18/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,19,20)
InChIKey
DWXLLQDCAFEANM-UHFFFAOYSA-N
Compound name
N-heptan-4-yl-2-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.1497 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.15698 166.6
[M+Na]+ 310.13892 172.0
[M-H]- 286.14242 165.6
[M+NH4]+ 305.18352 182.0
[M+K]+ 326.11286 168.5
[M+H-H2O]+ 270.14696 157.4
[M+HCOO]- 332.14790 183.8
[M+CH3COO]- 346.16355 205.5
[M+Na-2H]- 308.12437 167.5
[M]+ 287.14915 163.5
[M]- 287.15025 163.5
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.