CID 117259582

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

Structural Information

Molecular Formula
C9H5Br2NO
SMILES
C1=CC(=CC(=C1)Br)C2=CN=C(O2)Br
InChI
InChI=1S/C9H5Br2NO/c10-7-3-1-2-6(4-7)8-5-12-9(11)13-8/h1-5H
InChIKey
GRRQQGLNEAAMBP-UHFFFAOYSA-N
Compound name
2-bromo-5-(3-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 142.7
[M+Na]+ 323.86300 155.0
[M-H]- 299.86650 152.0
[M+NH4]+ 318.90760 161.5
[M+K]+ 339.83694 141.5
[M+H-H2O]+ 283.87104 151.2
[M+HCOO]- 345.87198 159.8
[M+CH3COO]- 359.88763 157.9
[M+Na-2H]- 321.84845 150.6
[M]+ 300.87323 178.1
[M]- 300.87433 178.1
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.