CID 43424729

N-[1-(1-benzofuran-2-yl)ethyl]-2-chloropropanamide

Structural Information

Molecular Formula
C13H14ClNO2
SMILES
CC(C1=CC2=CC=CC=C2O1)NC(=O)C(C)Cl
InChI
InChI=1S/C13H14ClNO2/c1-8(14)13(16)15-9(2)12-7-10-5-3-4-6-11(10)17-12/h3-9H,1-2H3,(H,15,16)
InChIKey
QXLMWDZQNXDGOC-UHFFFAOYSA-N
Compound name
N-[1-(1-benzofuran-2-yl)ethyl]-2-chloropropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.0713 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.07858 154.3
[M+Na]+ 274.06052 166.6
[M+NH4]+ 269.10512 162.7
[M+K]+ 290.03446 162.5
[M-H]- 250.06402 157.7
[M+Na-2H]- 272.04597 159.4
[M]+ 251.07075 157.2
[M]- 251.07185 157.2
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.