CID 1472624

Ethyl 3-(3-chlorophenyl)-[1,2,4]oxadiazole-5-carboxylate

Structural Information

Molecular Formula
C11H9ClN2O3
SMILES
CCOC(=O)C1=NC(=NO1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C11H9ClN2O3/c1-2-16-11(15)10-13-9(14-17-10)7-4-3-5-8(12)6-7/h3-6H,2H2,1H3
InChIKey
WIJSONSWHMEIAC-UHFFFAOYSA-N
Compound name
ethyl 3-(3-chlorophenyl)-1,2,4-oxadiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

252.03017 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.037446 151.4
[M+Na]+ 275.019388 161.7
[M-H]- 251.022894 156.6
[M+NH4]+ 270.063993 167.1
[M+K]+ 290.993328 159.2
[M+H-H2O]+ 235.027430 143.7
[M+HCOO]- 297.028371 169.1
[M+CH3COO]- 311.044021 189.8
[M+Na-2H]- 273.004836 156.0
[M]+ 252.02962142 157.4
[M]- 252.03071858 157.4
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

patents stripe