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

26
Patents

222.96329 Da
Monoisotopic Mass

2.7
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

No literature data available for this compound.

Patent stripe

patents stripe