CID 24212857

N-(4-bromo-2-chlorophenyl)-2-(2,4,6-trichlorophenoxy)acetamide

Structural Information

Molecular Formula
C14H8BrCl4NO2
SMILES
C1=CC(=C(C=C1Br)Cl)NC(=O)COC2=C(C=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C14H8BrCl4NO2/c15-7-1-2-12(9(17)3-7)20-13(21)6-22-14-10(18)4-8(16)5-11(14)19/h1-5H,6H2,(H,20,21)
InChIKey
KKBCKKXWKLIUKP-UHFFFAOYSA-N
Compound name
N-(4-bromo-2-chlorophenyl)-2-(2,4,6-trichlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.84924 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.85652 176.0
[M+Na]+ 463.83846 189.8
[M-H]- 439.84196 182.2
[M+NH4]+ 458.88306 190.9
[M+K]+ 479.81240 175.1
[M+H-H2O]+ 423.84650 177.1
[M+HCOO]- 485.84744 178.6
[M+CH3COO]- 499.86309 221.3
[M+Na-2H]- 461.82391 177.7
[M]+ 440.84869 197.5
[M]- 440.84979 197.5
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.