CID 2776418

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

Structural Information

Molecular Formula
C9H6BrNO
SMILES
C1=CC(=CC=C1C2=CN=CO2)Br
InChI
InChI=1S/C9H6BrNO/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H
InChIKey
FEBCQOHEPVLTLY-UHFFFAOYSA-N
Compound name
5-(4-bromophenyl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

249
Patents

222.96329 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.97057 140.8
[M+Na]+ 245.95251 145.9
[M+NH4]+ 240.99711 146.5
[M+K]+ 261.92645 146.7
[M-H]- 221.95601 144.0
[M+Na-2H]- 243.93796 146.3
[M]+ 222.96274 141.4
[M]- 222.96384 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