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

66
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 144.7
[M+Na]+ 259.94071 159.3
[M+NH4]+ 254.98531 153.6
[M+K]+ 275.91465 151.6
[M-H]- 235.94421 147.0
[M+Na-2H]- 257.92616 151.5
[M]+ 236.95094 148.3
[M]- 236.95204 148.3
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

patents stripe