CID 72212565

Ethyl 5-chloro-1,3,4-oxadiazole-2-carboxylate

Structural Information

Molecular Formula
C5H5ClN2O3
SMILES
CCOC(=O)C1=NN=C(O1)Cl
InChI
InChI=1S/C5H5ClN2O3/c1-2-10-4(9)3-7-8-5(6)11-3/h2H2,1H3
InChIKey
RFCJWHIXWZVPNE-UHFFFAOYSA-N
Compound name
ethyl 5-chloro-1,3,4-oxadiazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.99887 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.00615 130.6
[M+Na]+ 198.98809 142.7
[M+NH4]+ 194.03269 137.5
[M+K]+ 214.96203 140.3
[M-H]- 174.99159 130.8
[M+Na-2H]- 196.97354 135.1
[M]+ 175.99832 132.4
[M]- 175.99942 132.4
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.