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 177.3
[M+Na]+ 396.95202 192.9
[M+NH4]+ 391.99662 184.8
[M+K]+ 412.92596 187.1
[M-H]- 372.95552 182.0
[M+Na-2H]- 394.93747 184.6
[M]+ 373.96225 181.7
[M]- 373.96335 181.7
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.