CID 45791356

N-(2-acetyl-1-benzofuran-3-yl)-2-chloropropanamide

Structural Information

Molecular Formula
C13H12ClNO3
SMILES
CC(C(=O)NC1=C(OC2=CC=CC=C21)C(=O)C)Cl
InChI
InChI=1S/C13H12ClNO3/c1-7(14)13(17)15-11-9-5-3-4-6-10(9)18-12(11)8(2)16/h3-7H,1-2H3,(H,15,17)
InChIKey
RAVVZTNDELOMLA-UHFFFAOYSA-N
Compound name
N-(2-acetyl-1-benzofuran-3-yl)-2-chloropropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.05057 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.05785 155.9
[M+Na]+ 288.03979 168.2
[M+NH4]+ 283.08439 163.6
[M+K]+ 304.01373 164.8
[M-H]- 264.04329 158.7
[M+Na-2H]- 286.02524 160.3
[M]+ 265.05002 158.6
[M]- 265.05112 158.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.