CID 71565288

2-chloro-1-oxazol-4-yl-ethanone

Structural Information

Molecular Formula
C5H4ClNO2
SMILES
C1=C(N=CO1)C(=O)CCl
InChI
InChI=1S/C5H4ClNO2/c6-1-5(8)4-2-9-3-7-4/h2-3H,1H2
InChIKey
MIAVKNLLTKHRMT-UHFFFAOYSA-N
Compound name
2-chloro-1-(1,3-oxazol-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.99306 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.00034 123.7
[M+Na]+ 167.98228 136.1
[M+NH4]+ 163.02688 132.0
[M+K]+ 183.95622 132.7
[M-H]- 143.98578 125.2
[M+Na-2H]- 165.96773 129.4
[M]+ 144.99251 126.0
[M]- 144.99361 126.0
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.