CID 98791

N-(5-chloro-2-methoxyphenyl)-3-oxobutanamide

Structural Information

Molecular Formula
C11H12ClNO3
SMILES
CC(=O)CC(=O)NC1=C(C=CC(=C1)Cl)OC
InChI
InChI=1S/C11H12ClNO3/c1-7(14)5-11(15)13-9-6-8(12)3-4-10(9)16-2/h3-4,6H,5H2,1-2H3,(H,13,15)
InChIKey
HSGGSKCDDPPKMD-UHFFFAOYSA-N
Compound name
N-(5-chloro-2-methoxyphenyl)-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

25
Patents

241.05057 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.05785 149.6
[M+Na]+ 264.03979 158.0
[M-H]- 240.04329 153.7
[M+NH4]+ 259.08439 168.1
[M+K]+ 280.01373 155.0
[M+H-H2O]+ 224.04783 144.5
[M+HCOO]- 286.04877 169.2
[M+CH3COO]- 300.06442 193.7
[M+Na-2H]- 262.02524 152.9
[M]+ 241.05002 154.0
[M]- 241.05112 154.0
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.