CID 202247

Acetanilide, n-methyl-2',4',5'-trichloro-

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]+ 251.97443 148.9
[M+Na]+ 273.95637 163.5
[M+NH4]+ 269.00097 157.9
[M+K]+ 289.93031 156.0
[M-H]- 249.95987 151.4
[M+Na-2H]- 271.94182 155.7
[M]+ 250.96660 152.6
[M]- 250.96770 152.6
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.