CID 82301304

2-bromo-5-(3-chlorophenyl)-1,3,4-oxadiazole

Structural Information

Molecular Formula
C8H4BrClN2O
SMILES
C1=CC(=CC(=C1)Cl)C2=NN=C(O2)Br
InChI
InChI=1S/C8H4BrClN2O/c9-8-12-11-7(13-8)5-2-1-3-6(10)4-5/h1-4H
InChIKey
JQZRAIDZKZAHKA-UHFFFAOYSA-N
Compound name
2-bromo-5-(3-chlorophenyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

257.91956 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.92684 147.5
[M+Na]+ 280.90878 153.6
[M+NH4]+ 275.95338 152.7
[M+K]+ 296.88272 154.1
[M-H]- 256.91228 150.0
[M+Na-2H]- 278.89423 152.5
[M]+ 257.91901 148.3
[M]- 257.92011 148.3
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

No patent data available for this compound.