CID 5323959

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

Structural Information

Molecular Formula
C8H5BrN2O
SMILES
C1=CC=C(C=C1)C2=NC(=NO2)Br
InChI
InChI=1S/C8H5BrN2O/c9-8-10-7(12-11-8)6-4-2-1-3-5-6/h1-5H
InChIKey
WJLDWMUZNIQXET-UHFFFAOYSA-N
Compound name
3-bromo-5-phenyl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

223.95853 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.96581 141.1
[M+Na]+ 246.94775 146.2
[M+NH4]+ 241.99235 146.1
[M+K]+ 262.92169 147.3
[M-H]- 222.95125 143.6
[M+Na-2H]- 244.93320 146.4
[M]+ 223.95798 141.4
[M]- 223.95908 141.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe