CID 45051438

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

Structural Information

Molecular Formula
C20H14Cl3NO3
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)COC3=C(C=C(C=C3Cl)Cl)Cl
InChI
InChI=1S/C20H14Cl3NO3/c21-13-10-17(22)20(18(23)11-13)26-12-19(25)24-14-6-8-16(9-7-14)27-15-4-2-1-3-5-15/h1-11H,12H2,(H,24,25)
InChIKey
MPVNCBLATOWSTI-UHFFFAOYSA-N
Compound name
N-(4-phenoxyphenyl)-2-(2,4,6-trichlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.00394 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.01122 191.4
[M+Na]+ 443.99316 200.4
[M-H]- 419.99666 199.2
[M+NH4]+ 439.03776 202.7
[M+K]+ 459.96710 193.3
[M+H-H2O]+ 404.00120 183.9
[M+HCOO]- 466.00214 200.7
[M+CH3COO]- 480.01779 222.9
[M+Na-2H]- 441.97861 192.8
[M]+ 421.00339 198.1
[M]- 421.00449 198.1
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.