CID 4384894

N-(2,2,2-trichloro-1-(4-chlorophenoxy)ethyl)pentanamide

Structural Information

Molecular Formula
C13H15Cl4NO2
SMILES
CCCCC(=O)NC(C(Cl)(Cl)Cl)OC1=CC=C(C=C1)Cl
InChI
InChI=1S/C13H15Cl4NO2/c1-2-3-4-11(19)18-12(13(15,16)17)20-10-7-5-9(14)6-8-10/h5-8,12H,2-4H2,1H3,(H,18,19)
InChIKey
CWHAIDAGVIHIBV-UHFFFAOYSA-N
Compound name
N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.9857 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.99298 174.9
[M+Na]+ 379.97492 181.6
[M-H]- 355.97842 175.1
[M+NH4]+ 375.01952 188.7
[M+K]+ 395.94886 175.7
[M+H-H2O]+ 339.98296 171.6
[M+HCOO]- 401.98390 176.0
[M+CH3COO]- 415.99955 211.5
[M+Na-2H]- 377.96037 175.3
[M]+ 356.98515 178.7
[M]- 356.98625 178.7
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.