CID 15956142

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

Structural Information

Molecular Formula
C11H9Cl2NO2
SMILES
CCN1C=C(C(=O)O1)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C11H9Cl2NO2/c1-2-14-6-8(11(15)16-14)7-3-4-9(12)10(13)5-7/h3-6H,2H2,1H3
InChIKey
SMFANOGMYWJWTJ-UHFFFAOYSA-N
Compound name
4-(3,4-dichlorophenyl)-2-ethyl-1,2-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.00104 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.00832 151.6
[M+Na]+ 279.99026 164.3
[M-H]- 255.99376 157.9
[M+NH4]+ 275.03486 169.6
[M+K]+ 295.96420 159.5
[M+H-H2O]+ 239.99830 145.9
[M+HCOO]- 301.99924 166.0
[M+CH3COO]- 316.01489 191.8
[M+Na-2H]- 277.97571 155.0
[M]+ 257.00049 158.1
[M]- 257.00159 158.1
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.