CID 4564154

N-(3-nitrophenyl)-2-(2,4,6-trichlorophenoxy)acetamide

Structural Information

Molecular Formula
C14H9Cl3N2O4
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)COC2=C(C=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C14H9Cl3N2O4/c15-8-4-11(16)14(12(17)5-8)23-7-13(20)18-9-2-1-3-10(6-9)19(21)22/h1-6H,7H2,(H,18,20)
InChIKey
VSVPGFOTFAEGPS-UHFFFAOYSA-N
Compound name
N-(3-nitrophenyl)-2-(2,4,6-trichlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.9628 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.97008 179.4
[M+Na]+ 396.95202 186.9
[M-H]- 372.95552 184.0
[M+NH4]+ 391.99662 191.6
[M+K]+ 412.92596 177.7
[M+H-H2O]+ 356.96006 178.8
[M+HCOO]- 418.96100 190.0
[M+CH3COO]- 432.97665 209.0
[M+Na-2H]- 394.93747 182.1
[M]+ 373.96225 183.6
[M]- 373.96335 183.6
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.