CID 24212659

N-(3-chloro-2-methylphenyl)-2-(2,4,6-trichlorophenoxy)acetamide

Structural Information

Molecular Formula
C15H11Cl4NO2
SMILES
CC1=C(C=CC=C1Cl)NC(=O)COC2=C(C=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C15H11Cl4NO2/c1-8-10(17)3-2-4-13(8)20-14(21)7-22-15-11(18)5-9(16)6-12(15)19/h2-6H,7H2,1H3,(H,20,21)
InChIKey
ACFYUYJDPZFNEC-UHFFFAOYSA-N
Compound name
N-(3-chloro-2-methylphenyl)-2-(2,4,6-trichlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.95438 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.96166 177.5
[M+Na]+ 399.94360 187.7
[M-H]- 375.94710 181.2
[M+NH4]+ 394.98820 191.0
[M+K]+ 415.91754 181.0
[M+H-H2O]+ 359.95164 173.1
[M+HCOO]- 421.95258 181.3
[M+CH3COO]- 435.96823 216.8
[M+Na-2H]- 397.92905 176.9
[M]+ 376.95383 182.6
[M]- 376.95493 182.6
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.