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 158.0
[M+Na]+ 288.03979 167.5
[M-H]- 264.04329 163.9
[M+NH4]+ 283.08439 176.9
[M+K]+ 304.01373 164.6
[M+H-H2O]+ 248.04783 153.1
[M+HCOO]- 310.04877 176.8
[M+CH3COO]- 324.06442 197.9
[M+Na-2H]- 286.02524 161.4
[M]+ 265.05002 164.1
[M]- 265.05112 164.1
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.