CID 160212

2-chloro-3-oxo-n-phenylbutanamide

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

7
References

115
Patents

211.04001 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.04729 143.4
[M+Na]+ 234.02923 150.2
[M-H]- 210.03273 146.9
[M+NH4]+ 229.07383 162.4
[M+K]+ 250.00317 147.2
[M+H-H2O]+ 194.03727 138.3
[M+HCOO]- 256.03821 162.1
[M+CH3COO]- 270.05386 187.2
[M+Na-2H]- 232.01468 147.3
[M]+ 211.03946 144.6
[M]- 211.04056 144.6
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