CID 2316593

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

Structural Information

Molecular Formula
C15H12Cl3NO2
SMILES
C1=CC=C(C=C1)CNC(=O)COC2=C(C=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C15H12Cl3NO2/c16-11-6-12(17)15(13(18)7-11)21-9-14(20)19-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,19,20)
InChIKey
GSTHXYJETNNSMT-UHFFFAOYSA-N
Compound name
N-benzyl-2-(2,4,6-trichlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.99335 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.00063 171.9
[M+Na]+ 365.98257 181.1
[M-H]- 341.98607 176.8
[M+NH4]+ 361.02717 186.7
[M+K]+ 381.95651 174.2
[M+H-H2O]+ 325.99061 166.6
[M+HCOO]- 387.99155 181.5
[M+CH3COO]- 402.00720 209.6
[M+Na-2H]- 363.96802 174.1
[M]+ 342.99280 177.2
[M]- 342.99390 177.2
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.