CID 69380386

[3-(1,3-oxazol-5-yl)phenyl]boronic acid

Structural Information

Molecular Formula
C9H8BNO3
SMILES
B(C1=CC(=CC=C1)C2=CN=CO2)(O)O
InChI
InChI=1S/C9H8BNO3/c12-10(13)8-3-1-2-7(4-8)9-5-11-6-14-9/h1-6,12-13H
InChIKey
SOFRWUFTUVHYQR-UHFFFAOYSA-N
Compound name
[3-(1,3-oxazol-5-yl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

189.05972 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.06700 135.9
[M+Na]+ 212.04894 144.0
[M-H]- 188.05244 139.9
[M+NH4]+ 207.09354 153.2
[M+K]+ 228.02288 142.5
[M+H-H2O]+ 172.05698 129.4
[M+HCOO]- 234.05792 157.0
[M+CH3COO]- 248.07357 174.9
[M+Na-2H]- 210.03439 141.9
[M]+ 189.05917 135.9
[M]- 189.06027 135.9
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