CID 24212521

N-(2,5-dimethylphenyl)-2-(2,3,4,6-tetrachlorophenoxy)acetamide

Structural Information

Molecular Formula
C16H13Cl4NO2
SMILES
CC1=CC(=C(C=C1)C)NC(=O)COC2=C(C(=C(C=C2Cl)Cl)Cl)Cl
InChI
InChI=1S/C16H13Cl4NO2/c1-8-3-4-9(2)12(5-8)21-13(22)7-23-16-11(18)6-10(17)14(19)15(16)20/h3-6H,7H2,1-2H3,(H,21,22)
InChIKey
RWBBNFWJKVMXIB-UHFFFAOYSA-N
Compound name
N-(2,5-dimethylphenyl)-2-(2,3,4,6-tetrachlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.97003 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.97731 181.6
[M+Na]+ 413.95925 192.2
[M-H]- 389.96275 185.5
[M+NH4]+ 409.00385 194.9
[M+K]+ 429.93319 185.5
[M+H-H2O]+ 373.96729 177.4
[M+HCOO]- 435.96823 185.2
[M+CH3COO]- 449.98388 220.7
[M+Na-2H]- 411.94470 179.9
[M]+ 390.96948 187.4
[M]- 390.97058 187.4
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.