CID 11586666

4-(3,4-dichlorophenyl)-2h-isoxazol-5-one

Structural Information

Molecular Formula
C9H5Cl2NO2
SMILES
C1=CC(=C(C=C1C2=CNOC2=O)Cl)Cl
InChI
InChI=1S/C9H5Cl2NO2/c10-7-2-1-5(3-8(7)11)6-4-12-14-9(6)13/h1-4,12H
InChIKey
IJVKHHYMLSJJJU-UHFFFAOYSA-N
Compound name
4-(3,4-dichlorophenyl)-2H-1,2-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.96973 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.97701 142.7
[M+Na]+ 251.95895 155.0
[M-H]- 227.96245 147.6
[M+NH4]+ 247.00355 160.8
[M+K]+ 267.93289 149.7
[M+H-H2O]+ 211.96699 137.5
[M+HCOO]- 273.96793 156.3
[M+CH3COO]- 287.98358 156.5
[M+Na-2H]- 249.94440 147.5
[M]+ 228.96918 146.3
[M]- 228.97028 146.3
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.