CID 21186805

(2,1,3-benzoxadiazol-4-yl)boronic acid

Structural Information

Molecular Formula
C6H5BN2O3
SMILES
B(C1=CC=CC2=NON=C12)(O)O
InChI
InChI=1S/C6H5BN2O3/c10-7(11)4-2-1-3-5-6(4)9-12-8-5/h1-3,10-11H
InChIKey
YLDPFKCZAMVFDF-UHFFFAOYSA-N
Compound name
2,1,3-benzoxadiazol-4-ylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

164.03932 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.04660 126.8
[M+Na]+ 187.02854 137.3
[M-H]- 163.03204 127.7
[M+NH4]+ 182.07314 145.1
[M+K]+ 203.00248 136.1
[M+H-H2O]+ 147.03658 120.6
[M+HCOO]- 209.03752 147.3
[M+CH3COO]- 223.05317 140.8
[M+Na-2H]- 185.01399 135.8
[M]+ 164.03877 129.0
[M]- 164.03987 129.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe