CID 53395383

1186334-84-8

Structural Information

Molecular Formula
C14H17BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C3=NN=CO3
InChI
InChI=1S/C14H17BN2O3/c1-13(2)14(3,4)20-15(19-13)11-7-5-6-10(8-11)12-17-16-9-18-12/h5-9H,1-4H3
InChIKey
VQXGJEOGDIIJLJ-UHFFFAOYSA-N
Compound name
2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

272.1332 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.14048 155.4
[M+Na]+ 295.12242 169.0
[M+NH4]+ 290.16702 165.6
[M+K]+ 311.09636 164.4
[M-H]- 271.12592 163.0
[M+Na-2H]- 293.10787 164.4
[M]+ 272.13265 160.0
[M]- 272.13375 160.0
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