CID 72218265

1393552-64-1

Structural Information

Molecular Formula
C5H5ClN2O3
SMILES
CCOC(=O)C1=NOC(=N1)Cl
InChI
InChI=1S/C5H5ClN2O3/c1-2-10-4(9)3-7-5(6)11-8-3/h2H2,1H3
InChIKey
RRGLNAWEKZILIN-UHFFFAOYSA-N
Compound name
ethyl 5-chloro-1,2,4-oxadiazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.99887 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.00615 129.9
[M+Na]+ 198.98809 140.5
[M-H]- 174.99159 131.9
[M+NH4]+ 194.03269 148.8
[M+K]+ 214.96203 140.0
[M+H-H2O]+ 158.99613 123.8
[M+HCOO]- 220.99707 148.1
[M+CH3COO]- 235.01272 175.1
[M+Na-2H]- 196.97354 136.2
[M]+ 175.99832 135.5
[M]- 175.99942 135.5
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.