CID 40427168

885274-35-1

Structural Information

Molecular Formula
C9H6BrNO
SMILES
C1=CC(=CC(=C1)Br)C2=NC=CO2
InChI
InChI=1S/C9H6BrNO/c10-8-3-1-2-7(6-8)9-11-4-5-12-9/h1-6H
InChIKey
YLPWYXWXKUAHPU-UHFFFAOYSA-N
Compound name
2-(3-bromophenyl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
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 138.4
[M+Na]+ 245.95251 151.3
[M-H]- 221.95601 147.5
[M+NH4]+ 240.99711 159.6
[M+K]+ 261.92645 142.0
[M+H-H2O]+ 205.96055 138.4
[M+HCOO]- 267.96149 160.9
[M+CH3COO]- 281.97714 154.8
[M+Na-2H]- 243.93796 147.5
[M]+ 222.96274 158.2
[M]- 222.96384 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

No literature data available for this compound.

Patent stripe

patents stripe