CID 2763184

Ethyl 2-chlorooxazole-4-carboxylate

Structural Information

Molecular Formula
C6H6ClNO3
SMILES
CCOC(=O)C1=COC(=N1)Cl
InChI
InChI=1S/C6H6ClNO3/c1-2-10-5(9)4-3-11-6(7)8-4/h3H,2H2,1H3
InChIKey
SYWQOPRAPDMWMC-UHFFFAOYSA-N
Compound name
ethyl 2-chloro-1,3-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

584
Patents

175.00362 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.01090 130.8
[M+Na]+ 197.99284 142.9
[M+NH4]+ 193.03744 138.4
[M+K]+ 213.96678 140.1
[M-H]- 173.99634 131.8
[M+Na-2H]- 195.97829 135.5
[M]+ 175.00307 132.9
[M]- 175.00417 132.9
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