CID 202247

N-methyl-n-(2,4,5-trichlorophenyl)acetamide

Structural Information

Molecular Formula
C9H8Cl3NO
SMILES
CC(=O)N(C)C1=CC(=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C9H8Cl3NO/c1-5(14)13(2)9-4-7(11)6(10)3-8(9)12/h3-4H,1-2H3
InChIKey
UOXYRTGHKWATGH-UHFFFAOYSA-N
Compound name
N-methyl-N-(2,4,5-trichlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.96715 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.974426 147.2
[M+Na]+ 273.956368 157.8
[M-H]- 249.959874 151.1
[M+NH4]+ 269.000973 166.6
[M+K]+ 289.930308 153.1
[M+H-H2O]+ 233.964410 144.2
[M+HCOO]- 295.965351 157.6
[M+CH3COO]- 309.981001 198.0
[M+Na-2H]- 271.941816 149.4
[M]+ 250.96660142 152.0
[M]- 250.96769858 152.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.