CID 963697

2-(2,5-dimethylphenoxy)-n-(2-fluorophenyl)acetamide

Structural Information

Molecular Formula
C16H16FNO2
SMILES
CC1=CC(=C(C=C1)C)OCC(=O)NC2=CC=CC=C2F
InChI
InChI=1S/C16H16FNO2/c1-11-7-8-12(2)15(9-11)20-10-16(19)18-14-6-4-3-5-13(14)17/h3-9H,10H2,1-2H3,(H,18,19)
InChIKey
KZBCGKSPBBJKAY-UHFFFAOYSA-N
Compound name
2-(2,5-dimethylphenoxy)-N-(2-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

273.11652 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.12380 161.5
[M+Na]+ 296.10574 169.2
[M-H]- 272.10924 167.3
[M+NH4]+ 291.15034 177.6
[M+K]+ 312.07968 165.4
[M+H-H2O]+ 256.11378 152.8
[M+HCOO]- 318.11472 184.8
[M+CH3COO]- 332.13037 202.5
[M+Na-2H]- 294.09119 164.9
[M]+ 273.11597 162.1
[M]- 273.11707 162.1
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

No patent data available for this compound.