CID 46942184

5-bromo-3-phenyl-1,2,4-oxadiazole

Structural Information

Molecular Formula
C8H5BrN2O
SMILES
C1=CC=C(C=C1)C2=NOC(=N2)Br
InChI
InChI=1S/C8H5BrN2O/c9-8-10-7(11-12-8)6-4-2-1-3-5-6/h1-5H
InChIKey
YIZUZAUECBVCII-UHFFFAOYSA-N
Compound name
5-bromo-3-phenyl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

223.95853 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.965806 136.5
[M+Na]+ 246.947748 149.7
[M-H]- 222.951254 144.4
[M+NH4]+ 241.992353 156.4
[M+K]+ 262.921688 140.5
[M+H-H2O]+ 206.955790 135.8
[M+HCOO]- 268.956731 158.1
[M+CH3COO]- 282.972381 152.7
[M+Na-2H]- 244.933196 146.1
[M]+ 223.95798142 156.4
[M]- 223.95907858 156.4
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