CID 7275215

N-(2-methoxy-5-methylphenyl)-2-(2,4,6-trichlorophenoxy)acetamide

Structural Information

Molecular Formula
C16H14Cl3NO3
SMILES
CC1=CC(=C(C=C1)OC)NC(=O)COC2=C(C=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C16H14Cl3NO3/c1-9-3-4-14(22-2)13(5-9)20-15(21)8-23-16-11(18)6-10(17)7-12(16)19/h3-7H,8H2,1-2H3,(H,20,21)
InChIKey
QGCCJFMUBKUEMA-UHFFFAOYSA-N
Compound name
N-(2-methoxy-5-methylphenyl)-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

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.01122 178.2
[M+Na]+ 395.99316 188.6
[M-H]- 371.99666 183.8
[M+NH4]+ 391.03776 192.4
[M+K]+ 411.96710 182.4
[M+H-H2O]+ 356.00120 173.1
[M+HCOO]- 418.00214 187.8
[M+CH3COO]- 432.01779 216.8
[M+Na-2H]- 393.97861 178.7
[M]+ 373.00339 186.0
[M]- 373.00449 186.0
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.