CID 676017

2-(4-chloro-2-methylphenoxy)-4'-fluoroacetanilide

Structural Information

Molecular Formula
C15H13ClFNO2
SMILES
CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=CC=C(C=C2)F
InChI
InChI=1S/C15H13ClFNO2/c1-10-8-11(16)2-7-14(10)20-9-15(19)18-13-5-3-12(17)4-6-13/h2-8H,9H2,1H3,(H,18,19)
InChIKey
QCWOUSGPTYYIMA-UHFFFAOYSA-N
Compound name
2-(4-chloro-2-methylphenoxy)-N-(4-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.0619 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.069176 163.0
[M+Na]+ 316.051118 172.0
[M-H]- 292.054624 168.7
[M+NH4]+ 311.095723 179.3
[M+K]+ 332.025058 166.6
[M+H-H2O]+ 276.059160 155.3
[M+HCOO]- 338.060101 182.1
[M+CH3COO]- 352.075751 203.2
[M+Na-2H]- 314.036566 166.5
[M]+ 293.06135142 165.6
[M]- 293.06244858 165.6
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.