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]+ 301.881056 142.7
[M+Na]+ 323.862998 155.0
[M-H]- 299.866504 152.0
[M+NH4]+ 318.907603 161.5
[M+K]+ 339.836938 141.5
[M+H-H2O]+ 283.871040 151.2
[M+HCOO]- 345.871981 159.8
[M+CH3COO]- 359.887631 157.9
[M+Na-2H]- 321.848446 150.6
[M]+ 300.87323142 178.1
[M]- 300.87432858 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.