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]+ 241.03745 147.3
[M+Na]+ 263.01939 158.9
[M-H]- 239.02289 152.8
[M+NH4]+ 258.06399 163.9
[M+K]+ 278.99333 156.7
[M+H-H2O]+ 223.02743 139.9
[M+HCOO]- 285.02837 166.0
[M+CH3COO]- 299.04402 188.6
[M+Na-2H]- 261.00484 152.8
[M]+ 240.02962 154.6
[M]- 240.03072 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