CID 7275266

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

Structural Information

Molecular Formula
C16H14Cl3NO3
SMILES
COC1=CC=C(C=C1)CNC(=O)COC2=C(C=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C16H14Cl3NO3/c1-22-12-4-2-10(3-5-12)8-20-15(21)9-23-16-13(18)6-11(17)7-14(16)19/h2-7H,8-9H2,1H3,(H,20,21)
InChIKey
MKYWIULGACTRLD-UHFFFAOYSA-N
Compound name
N-[(4-methoxyphenyl)methyl]-2-(2,4,6-trichlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.00394 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.01122 180.3
[M+Na]+ 395.99316 195.6
[M+NH4]+ 391.03776 188.1
[M+K]+ 411.96710 186.7
[M-H]- 371.99666 184.1
[M+Na-2H]- 393.97861 187.9
[M]+ 373.00339 184.5
[M]- 373.00449 184.5
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.