CID 27282007

Ethyl 3-chloromethyl-[1,2,4]oxadiazole-5-carboxylate

Structural Information

Molecular Formula
C6H7ClN2O3
SMILES
CCOC(=O)C1=NC(=NO1)CCl
InChI
InChI=1S/C6H7ClN2O3/c1-2-11-6(10)5-8-4(3-7)9-12-5/h2-3H2,1H3
InChIKey
JIKCEFWHWIEUHQ-UHFFFAOYSA-N
Compound name
ethyl 3-(chloromethyl)-1,2,4-oxadiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

190.01453 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.021806 134.6
[M+Na]+ 213.003748 144.8
[M-H]- 189.007254 136.5
[M+NH4]+ 208.048353 153.0
[M+K]+ 228.977688 144.1
[M+H-H2O]+ 173.011790 128.3
[M+HCOO]- 235.012731 152.5
[M+CH3COO]- 249.028381 178.0
[M+Na-2H]- 210.989196 140.4
[M]+ 190.01398142 140.7
[M]- 190.01507858 140.7
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

patents stripe