CID 15256272

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

Structural Information

Molecular Formula
C9H7ClN2O
SMILES
CC1=CC=C(C=C1)C2=NOC(=N2)Cl
InChI
InChI=1S/C9H7ClN2O/c1-6-2-4-7(5-3-6)8-11-9(10)13-12-8/h2-5H,1H3
InChIKey
AOARXCHKNQKGAI-UHFFFAOYSA-N
Compound name
5-chloro-3-(4-methylphenyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

194.02469 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.031966 137.2
[M+Na]+ 217.013908 148.6
[M-H]- 193.017414 142.4
[M+NH4]+ 212.058513 155.5
[M+K]+ 232.987848 145.5
[M+H-H2O]+ 177.021950 129.9
[M+HCOO]- 239.022891 155.8
[M+CH3COO]- 253.038541 151.5
[M+Na-2H]- 214.999356 143.9
[M]+ 194.02414142 140.9
[M]- 194.02523858 140.9
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