CID 75487

N-(3-chlorophenyl)-3-oxobutanamide

Structural Information

Molecular Formula
C10H10ClNO2
SMILES
CC(=O)CC(=O)NC1=CC(=CC=C1)Cl
InChI
InChI=1S/C10H10ClNO2/c1-7(13)5-10(14)12-9-4-2-3-8(11)6-9/h2-4,6H,5H2,1H3,(H,12,14)
InChIKey
MTPKMGABYQNMMG-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

37
Patents

211.04001 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.04729 142.9
[M+Na]+ 234.02923 150.9
[M-H]- 210.03273 146.7
[M+NH4]+ 229.07383 162.3
[M+K]+ 250.00317 147.4
[M+H-H2O]+ 194.03727 137.9
[M+HCOO]- 256.03821 162.6
[M+CH3COO]- 270.05386 187.4
[M+Na-2H]- 232.01468 147.3
[M]+ 211.03946 145.1
[M]- 211.04056 145.1
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