CID 24212523

N-(2-isopropylphenyl)-2-(2,3,4,6-tetrachlorophenoxy)acetamide

Structural Information

Molecular Formula
C17H15Cl4NO2
SMILES
CC(C)C1=CC=CC=C1NC(=O)COC2=C(C(=C(C=C2Cl)Cl)Cl)Cl
InChI
InChI=1S/C17H15Cl4NO2/c1-9(2)10-5-3-4-6-13(10)22-14(23)8-24-17-12(19)7-11(18)15(20)16(17)21/h3-7,9H,8H2,1-2H3,(H,22,23)
InChIKey
ZWXFITHHFDZSRS-UHFFFAOYSA-N
Compound name
N-(2-propan-2-ylphenyl)-2-(2,3,4,6-tetrachlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.9857 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.99298 184.6
[M+Na]+ 427.97492 193.8
[M-H]- 403.97842 188.2
[M+NH4]+ 423.01952 197.1
[M+K]+ 443.94886 187.2
[M+H-H2O]+ 387.98296 180.2
[M+HCOO]- 449.98390 187.1
[M+CH3COO]- 463.99955 223.0
[M+Na-2H]- 425.96037 182.2
[M]+ 404.98515 190.1
[M]- 404.98625 190.1
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.