CID 90217

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

Structural Information

Molecular Formula
C8H6Cl3NO
SMILES
CC(=O)NC1=CC(=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C8H6Cl3NO/c1-4(13)12-8-3-6(10)5(9)2-7(8)11/h2-3H,1H3,(H,12,13)
InChIKey
VUSLTUGEJURGLB-UHFFFAOYSA-N
Compound name
N-(2,4,5-trichlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

74
Patents

236.95149 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.95877 143.8
[M+Na]+ 259.94071 154.5
[M-H]- 235.94421 146.3
[M+NH4]+ 254.98531 163.0
[M+K]+ 275.91465 148.8
[M+H-H2O]+ 219.94875 141.1
[M+HCOO]- 281.94969 153.9
[M+CH3COO]- 295.96534 191.8
[M+Na-2H]- 257.92616 147.0
[M]+ 236.95094 146.8
[M]- 236.95204 146.8
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

patents stripe