CID 53820331

2-(bromomethyl)-5-phenyl-1,3-oxazole

Structural Information

Molecular Formula
C10H8BrNO
SMILES
C1=CC=C(C=C1)C2=CN=C(O2)CBr
InChI
InChI=1S/C10H8BrNO/c11-6-10-12-7-9(13-10)8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKey
FVGRNEHKHQIBEU-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-5-phenyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

236.97893 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.98621 145.4
[M+Na]+ 259.96815 150.4
[M+NH4]+ 255.01275 150.9
[M+K]+ 275.94209 150.9
[M-H]- 235.97165 148.6
[M+Na-2H]- 257.95360 150.6
[M]+ 236.97838 146.0
[M]- 236.97948 146.0
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

patents stripe