CID 24212655

N-(2-isopropylphenyl)-2-(2,4,6-trichlorophenoxy)acetamide

Structural Information

Molecular Formula
C17H16Cl3NO2
SMILES
CC(C)C1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C17H16Cl3NO2/c1-10(2)12-5-3-4-6-15(12)21-16(22)9-23-17-13(19)7-11(18)8-14(17)20/h3-8,10H,9H2,1-2H3,(H,21,22)
InChIKey
ITUFZYIVFRTBIF-UHFFFAOYSA-N
Compound name
N-(2-propan-2-ylphenyl)-2-(2,4,6-trichlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.02466 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.03194 179.7
[M+Na]+ 394.01388 188.7
[M-H]- 370.01738 184.8
[M+NH4]+ 389.05848 193.7
[M+K]+ 409.98782 182.0
[M+H-H2O]+ 354.02192 174.5
[M+HCOO]- 416.02286 187.8
[M+CH3COO]- 430.03851 217.2
[M+Na-2H]- 391.99933 179.2
[M]+ 371.02411 185.6
[M]- 371.02521 185.6
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.