CID 117259598

2-bromo-5-(4-bromophenyl)-1,3-oxazole

Structural Information

Molecular Formula
C9H5Br2NO
SMILES
C1=CC(=CC=C1C2=CN=C(O2)Br)Br
InChI
InChI=1S/C9H5Br2NO/c10-7-3-1-6(2-4-7)8-5-12-9(11)13-8/h1-5H
InChIKey
MLCZQCSXMDKRBK-UHFFFAOYSA-N
Compound name
2-bromo-5-(4-bromophenyl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.87378 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.88106 155.1
[M+Na]+ 323.86300 151.3
[M+NH4]+ 318.90760 157.4
[M+K]+ 339.83694 157.9
[M-H]- 299.86650 157.4
[M+Na-2H]- 321.84845 157.2
[M]+ 300.87323 154.2
[M]- 300.87433 154.2
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.