CID 2063555

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

Structural Information

Molecular Formula
C13H12ClNO3
SMILES
C1=COC(=C1)CNC(=O)COC2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H12ClNO3/c14-10-3-5-11(6-4-10)18-9-13(16)15-8-12-2-1-7-17-12/h1-7H,8-9H2,(H,15,16)
InChIKey
GHYHPMUTKDEZPX-UHFFFAOYSA-N
Compound name
2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.05057 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.057846 158.3
[M+Na]+ 288.039788 166.0
[M-H]- 264.043294 165.7
[M+NH4]+ 283.084393 175.6
[M+K]+ 304.013728 163.0
[M+H-H2O]+ 248.047830 151.8
[M+HCOO]- 310.048771 179.1
[M+CH3COO]- 324.064421 194.1
[M+Na-2H]- 286.025236 163.1
[M]+ 265.05002142 163.1
[M]- 265.05111858 163.1
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.