CID 42940265

2-chloro-n-[2-(4-chlorophenoxy)ethyl]-n-methylpropanamide

Structural Information

Molecular Formula
C12H15Cl2NO2
SMILES
CC(C(=O)N(C)CCOC1=CC=C(C=C1)Cl)Cl
InChI
InChI=1S/C12H15Cl2NO2/c1-9(13)12(16)15(2)7-8-17-11-5-3-10(14)4-6-11/h3-6,9H,7-8H2,1-2H3
InChIKey
RUAKVJUANQEEFS-UHFFFAOYSA-N
Compound name
2-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.04797 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.05525 158.3
[M+Na]+ 298.03719 165.7
[M-H]- 274.04069 162.6
[M+NH4]+ 293.08179 176.3
[M+K]+ 314.01113 162.2
[M+H-H2O]+ 258.04523 153.5
[M+HCOO]- 320.04617 172.7
[M+CH3COO]- 334.06182 202.2
[M+Na-2H]- 296.02264 160.2
[M]+ 275.04742 164.4
[M]- 275.04852 164.4
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.