CID 560753

Oxazole, 5-bromo-4-phenyl-

Structural Information

Molecular Formula
C9H6BrNO
SMILES
C1=CC=C(C=C1)C2=C(OC=N2)Br
InChI
InChI=1S/C9H6BrNO/c10-9-8(11-6-12-9)7-4-2-1-3-5-7/h1-6H
InChIKey
AJSYUPQDOBPXGA-UHFFFAOYSA-N
Compound name
5-bromo-4-phenyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.96329 Da
Monoisotopic Mass

3.0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.