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 147.2
[M+Na]+ 273.95637 157.8
[M-H]- 249.95987 151.1
[M+NH4]+ 269.00097 166.6
[M+K]+ 289.93031 153.1
[M+H-H2O]+ 233.96441 144.2
[M+HCOO]- 295.96535 157.6
[M+CH3COO]- 309.98100 198.0
[M+Na-2H]- 271.94182 149.4
[M]+ 250.96660 152.0
[M]- 250.96770 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.