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]+ 266.05785 158.3
[M+Na]+ 288.03979 166.0
[M-H]- 264.04329 165.7
[M+NH4]+ 283.08439 175.6
[M+K]+ 304.01373 163.0
[M+H-H2O]+ 248.04783 151.8
[M+HCOO]- 310.04877 179.1
[M+CH3COO]- 324.06442 194.1
[M+Na-2H]- 286.02524 163.1
[M]+ 265.05002 163.1
[M]- 265.05112 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.