CID 44119343

4-(5-methyl-1,3,4-oxadiazol-2-yl)benzeneboronic acid

Structural Information

Molecular Formula
C9H9BN2O3
SMILES
B(C1=CC=C(C=C1)C2=NN=C(O2)C)(O)O
InChI
InChI=1S/C9H9BN2O3/c1-6-11-12-9(15-6)7-2-4-8(5-3-7)10(13)14/h2-5,13-14H,1H3
InChIKey
SPSKFVHUUJWUPB-UHFFFAOYSA-N
Compound name
[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

204.07062 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.07790 140.4
[M+Na]+ 227.05984 149.4
[M-H]- 203.06334 143.4
[M+NH4]+ 222.10444 156.0
[M+K]+ 243.03378 147.7
[M+H-H2O]+ 187.06788 133.2
[M+HCOO]- 249.06882 160.1
[M+CH3COO]- 263.08447 179.0
[M+Na-2H]- 225.04529 145.4
[M]+ 204.07007 141.3
[M]- 204.07117 141.3
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

No patent data available for this compound.