CID 46738004

2,1,3-benzoxadiazole-5-boronic acid, pinacol ester

Structural Information

Molecular Formula
C12H15BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=NON=C3C=C2
InChI
InChI=1S/C12H15BN2O3/c1-11(2)12(3,4)17-13(16-11)8-5-6-9-10(7-8)15-18-14-9/h5-7H,1-4H3
InChIKey
MQXANAGMQAYTMV-UHFFFAOYSA-N
Compound name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzoxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

246.11757 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.12485 147.5
[M+Na]+ 269.10679 159.9
[M-H]- 245.11029 155.9
[M+NH4]+ 264.15139 167.4
[M+K]+ 285.08073 160.9
[M+H-H2O]+ 229.11483 142.3
[M+HCOO]- 291.11577 167.5
[M+CH3COO]- 305.13142 162.5
[M+Na-2H]- 267.09224 154.9
[M]+ 246.11702 154.4
[M]- 246.11812 154.4
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