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]+ 338.03453 171.9
[M+Na]+ 360.01647 180.7
[M-H]- 336.01997 178.3
[M+NH4]+ 355.06107 186.7
[M+K]+ 375.99041 174.9
[M+H-H2O]+ 320.02451 165.9
[M+HCOO]- 382.02545 186.2
[M+CH3COO]- 396.04110 209.9
[M+Na-2H]- 358.00192 173.7
[M]+ 337.02670 177.6
[M]- 337.02780 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.