CID 52919292

6-methoxybenzo[c][1,2]oxaborol-1(3h)-ol

Structural Information

Molecular Formula
C8H9BO3
SMILES
B1(C2=C(CO1)C=CC(=C2)OC)O
InChI
InChI=1S/C8H9BO3/c1-11-7-3-2-6-5-12-9(10)8(6)4-7/h2-4,10H,5H2,1H3
InChIKey
GAGAFKOBUXAXBW-UHFFFAOYSA-N
Compound name
1-hydroxy-6-methoxy-3H-2,1-benzoxaborole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

164.06447 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.07175 129.6
[M+Na]+ 187.05369 141.8
[M+NH4]+ 182.09829 138.7
[M+K]+ 203.02763 138.4
[M-H]- 163.05719 132.5
[M+Na-2H]- 185.03914 134.3
[M]+ 164.06392 132.1
[M]- 164.06502 132.1
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