CID 112571603

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

Structural Information

Molecular Formula
C9H7BrN2O2
SMILES
COC1=CC=C(C=C1)C2=NC(=NO2)Br
InChI
InChI=1S/C9H7BrN2O2/c1-13-7-4-2-6(3-5-7)8-11-9(10)12-14-8/h2-5H,1H3
InChIKey
UIGGTJQBVQADOR-UHFFFAOYSA-N
Compound name
3-bromo-5-(4-methoxyphenyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.96909 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.97637 148.8
[M+Na]+ 276.95831 153.6
[M+NH4]+ 272.00291 153.2
[M+K]+ 292.93225 155.2
[M-H]- 252.96181 150.9
[M+Na-2H]- 274.94376 153.1
[M]+ 253.96854 148.9
[M]- 253.96964 148.9
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

No patent data available for this compound.