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]+ 388.985726 184.0
[M+Na]+ 410.967668 191.8
[M-H]- 386.971174 188.7
[M+NH4]+ 406.012273 195.9
[M+K]+ 426.941608 182.6
[M+H-H2O]+ 370.975710 183.4
[M+HCOO]- 432.976651 194.3
[M+CH3COO]- 446.992301 213.0
[M+Na-2H]- 408.953116 185.5
[M]+ 387.97790142 188.8
[M]- 387.97899858 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.