CID 1120970

2-(2,5-dimethylphenoxy)-n-[2-(trifluoromethyl)phenyl]acetamide

Structural Information

Molecular Formula
C17H16F3NO2
SMILES
CC1=CC(=C(C=C1)C)OCC(=O)NC2=CC=CC=C2C(F)(F)F
InChI
InChI=1S/C17H16F3NO2/c1-11-7-8-12(2)15(9-11)23-10-16(22)21-14-6-4-3-5-13(14)17(18,19)20/h3-9H,10H2,1-2H3,(H,21,22)
InChIKey
AZBDDXSVBQBZKR-UHFFFAOYSA-N
Compound name
2-(2,5-dimethylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.1133 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.120576 172.4
[M+Na]+ 346.102518 180.3
[M-H]- 322.106024 175.5
[M+NH4]+ 341.147123 186.5
[M+K]+ 362.076458 175.9
[M+H-H2O]+ 306.110560 162.1
[M+HCOO]- 368.111501 191.6
[M+CH3COO]- 382.127151 210.7
[M+Na-2H]- 344.087966 174.8
[M]+ 323.11275142 170.5
[M]- 323.11384858 170.5
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.