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]+ 324.12058 172.4
[M+Na]+ 346.10252 180.3
[M-H]- 322.10602 175.5
[M+NH4]+ 341.14712 186.5
[M+K]+ 362.07646 175.9
[M+H-H2O]+ 306.11056 162.1
[M+HCOO]- 368.11150 191.6
[M+CH3COO]- 382.12715 210.7
[M+Na-2H]- 344.08797 174.8
[M]+ 323.11275 170.5
[M]- 323.11385 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.