CID 737715

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenoxyacetamide

Structural Information

Molecular Formula
C15H11ClF3NO2
SMILES
C1=CC=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl
InChI
InChI=1S/C15H11ClF3NO2/c16-12-7-6-10(15(17,18)19)8-13(12)20-14(21)9-22-11-4-2-1-3-5-11/h1-8H,9H2,(H,20,21)
InChIKey
AAWIEDSRWFRBSM-UHFFFAOYSA-N
Compound name
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenoxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

19
Patents

329.04303 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.05031 168.5
[M+Na]+ 352.03225 177.2
[M-H]- 328.03575 171.4
[M+NH4]+ 347.07685 183.0
[M+K]+ 368.00619 171.3
[M+H-H2O]+ 312.04029 159.1
[M+HCOO]- 374.04123 183.9
[M+CH3COO]- 388.05688 207.1
[M+Na-2H]- 350.01770 172.3
[M]+ 329.04248 168.0
[M]- 329.04358 168.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe