CID 71565286

1421314-19-3

Structural Information

Molecular Formula
C5H4ClNO2
SMILES
C1=C(OC=N1)C(=O)CCl
InChI
InChI=1S/C5H4ClNO2/c6-1-4(8)5-2-7-3-9-5/h2-3H,1H2
InChIKey
HJKZMIHGISQWDC-UHFFFAOYSA-N
Compound name
2-chloro-1-(1,3-oxazol-5-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 123.8
[M+Na]+ 167.98228 133.5
[M-H]- 143.98578 126.8
[M+NH4]+ 163.02688 145.0
[M+K]+ 183.95622 132.5
[M+H-H2O]+ 127.99032 118.6
[M+HCOO]- 189.99126 143.0
[M+CH3COO]- 204.00691 169.8
[M+Na-2H]- 165.96773 130.8
[M]+ 144.99251 127.2
[M]- 144.99361 127.2
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.