CID 24212642

N-(2-methyl-6-nitrophenyl)-2-(2,4,6-trichlorophenoxy)acetamide

Structural Information

Molecular Formula
C15H11Cl3N2O4
SMILES
CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC2=C(C=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C15H11Cl3N2O4/c1-8-3-2-4-12(20(22)23)14(8)19-13(21)7-24-15-10(17)5-9(16)6-11(15)18/h2-6H,7H2,1H3,(H,19,21)
InChIKey
NCJIICNNULVUSH-UHFFFAOYSA-N
Compound name
N-(2-methyl-6-nitrophenyl)-2-(2,4,6-trichlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.97845 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.98573 184.0
[M+Na]+ 410.96767 191.8
[M-H]- 386.97117 188.7
[M+NH4]+ 406.01227 195.9
[M+K]+ 426.94161 182.6
[M+H-H2O]+ 370.97571 183.4
[M+HCOO]- 432.97665 194.3
[M+CH3COO]- 446.99230 213.0
[M+Na-2H]- 408.95312 185.5
[M]+ 387.97790 188.8
[M]- 387.97900 188.8
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.