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

27
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

literature stripe

Patent stripe

patents stripe