CID 2773271

5-bromo-2-phenyl-1,3-oxazole

Structural Information

Molecular Formula
C9H6BrNO
SMILES
C1=CC=C(C=C1)C2=NC=C(O2)Br
InChI
InChI=1S/C9H6BrNO/c10-8-6-11-9(12-8)7-4-2-1-3-5-7/h1-6H
InChIKey
MSXVETKZQOUBNB-UHFFFAOYSA-N
Compound name
5-bromo-2-phenyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

222.96329 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.970566 138.4
[M+Na]+ 245.952508 151.3
[M-H]- 221.956014 147.5
[M+NH4]+ 240.997113 159.6
[M+K]+ 261.926448 142.0
[M+H-H2O]+ 205.960550 138.4
[M+HCOO]- 267.961491 160.9
[M+CH3COO]- 281.977141 154.8
[M+Na-2H]- 243.937956 147.5
[M]+ 222.96274142 158.2
[M]- 222.96383858 158.2
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