CID 43652792

2-(4-chlorophenoxy)-n-(4-oxocyclohexyl)acetamide

Structural Information

Molecular Formula
C14H16ClNO3
SMILES
C1CC(=O)CCC1NC(=O)COC2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H16ClNO3/c15-10-1-7-13(8-2-10)19-9-14(18)16-11-3-5-12(17)6-4-11/h1-2,7-8,11H,3-6,9H2,(H,16,18)
InChIKey
YRAJLSSQYXMWNV-UHFFFAOYSA-N
Compound name
2-(4-chlorophenoxy)-N-(4-oxocyclohexyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.08188 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.08916 161.9
[M+Na]+ 304.07110 167.4
[M-H]- 280.07460 167.7
[M+NH4]+ 299.11570 178.0
[M+K]+ 320.04504 163.2
[M+H-H2O]+ 264.07914 155.1
[M+HCOO]- 326.08008 178.5
[M+CH3COO]- 340.09573 198.7
[M+Na-2H]- 302.05655 164.3
[M]+ 281.08133 161.2
[M]- 281.08243 161.2
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.