CID 7275270

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

Structural Information

Molecular Formula
C11H12Cl3NO2
SMILES
CC(C)NC(=O)COC1=C(C=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C11H12Cl3NO2/c1-6(2)15-10(16)5-17-11-8(13)3-7(12)4-9(11)14/h3-4,6H,5H2,1-2H3,(H,15,16)
InChIKey
PCDDLPJPULPYKD-UHFFFAOYSA-N
Compound name
N-propan-2-yl-2-(2,4,6-trichlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.99335 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.00063 158.8
[M+Na]+ 317.98257 168.1
[M-H]- 293.98607 161.2
[M+NH4]+ 313.02717 175.8
[M+K]+ 333.95651 162.7
[M+H-H2O]+ 277.99061 155.6
[M+HCOO]- 339.99155 167.5
[M+CH3COO]- 354.00720 203.2
[M+Na-2H]- 315.96802 159.6
[M]+ 294.99280 163.9
[M]- 294.99390 163.9
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.