CID 7275267

N-cyclopentyl-2-(2,4,6-trichlorophenoxy)acetamide

Structural Information

Molecular Formula
C13H14Cl3NO2
SMILES
C1CCC(C1)NC(=O)COC2=C(C=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C13H14Cl3NO2/c14-8-5-10(15)13(11(16)6-8)19-7-12(18)17-9-3-1-2-4-9/h5-6,9H,1-4,7H2,(H,17,18)
InChIKey
PUSVHZZLRSNNSU-UHFFFAOYSA-N
Compound name
N-cyclopentyl-2-(2,4,6-trichlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.009 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.01628 171.7
[M+Na]+ 343.99822 179.6
[M-H]- 320.00172 176.3
[M+NH4]+ 339.04282 188.8
[M+K]+ 359.97216 173.2
[M+H-H2O]+ 304.00626 166.9
[M+HCOO]- 366.00720 179.7
[M+CH3COO]- 380.02285 204.5
[M+Na-2H]- 341.98367 170.4
[M]+ 321.00845 173.7
[M]- 321.00955 173.7
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.