CID 74798

2-(2,4-dichlorophenoxy)acetamide

Structural Information

Molecular Formula
C8H7Cl2NO2
SMILES
C1=CC(=C(C=C1Cl)Cl)OCC(=O)N
InChI
InChI=1S/C8H7Cl2NO2/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H2,11,12)
InChIKey
VGVRFARTWVJNQC-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

933
Patents

218.98538 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.992656 140.5
[M+Na]+ 241.974598 150.4
[M-H]- 217.978104 143.5
[M+NH4]+ 237.019203 160.0
[M+K]+ 257.948538 145.7
[M+H-H2O]+ 201.982640 136.8
[M+HCOO]- 263.983581 155.8
[M+CH3COO]- 277.999231 187.3
[M+Na-2H]- 239.960046 144.6
[M]+ 218.98483142 143.7
[M]- 218.98592858 143.7
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