CID 44119343

913835-70-8

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: 81
Patents: 204.07062 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	205.07790	141.8
[M+Na]+	227.05984	154.4
[M+NH4]+	222.10444	148.5
[M+K]+	243.03378	152.3
[M-H]-	203.06334	144.1
[M+Na-2H]-	225.04529	147.9
[M]+	204.07007	144.0
[M]-	204.07117	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe