CID 668135

N-(4-acetylphenyl)-2-(2,4-dichlorophenoxy)acetamide

Structural Information

Molecular Formula
C16H13Cl2NO3
SMILES
CC(=O)C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C16H13Cl2NO3/c1-10(20)11-2-5-13(6-3-11)19-16(21)9-22-15-7-4-12(17)8-14(15)18/h2-8H,9H2,1H3,(H,19,21)
InChIKey
YYUQRARGQOXJPX-UHFFFAOYSA-N
Compound name
N-(4-acetylphenyl)-2-(2,4-dichlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.02725 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.034526 171.9
[M+Na]+ 360.016468 180.7
[M-H]- 336.019974 178.3
[M+NH4]+ 355.061073 186.7
[M+K]+ 375.990408 174.9
[M+H-H2O]+ 320.024510 165.9
[M+HCOO]- 382.025451 186.2
[M+CH3COO]- 396.041101 209.9
[M+Na-2H]- 358.001916 173.7
[M]+ 337.02670142 177.6
[M]- 337.02779858 177.6
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.