CID 60984266

5-chloro-3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazole

Structural Information

Molecular Formula
C10H9ClN2O3
SMILES
COC1=CC(=CC(=C1)C2=NOC(=N2)Cl)OC
InChI
InChI=1S/C10H9ClN2O3/c1-14-7-3-6(4-8(5-7)15-2)9-12-10(11)16-13-9/h3-5H,1-2H3
InChIKey
RVOCAEMKKUEUMS-UHFFFAOYSA-N
Compound name
5-chloro-3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

240.03017 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.037446 147.3
[M+Na]+ 263.019388 158.9
[M-H]- 239.022894 152.8
[M+NH4]+ 258.063993 163.9
[M+K]+ 278.993328 156.7
[M+H-H2O]+ 223.027430 139.9
[M+HCOO]- 285.028371 166.0
[M+CH3COO]- 299.044021 188.6
[M+Na-2H]- 261.004836 152.8
[M]+ 240.02962142 154.6
[M]- 240.03071858 154.6
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