CID 52919292

947163-26-0

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

39
Patents

164.06447 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.07175 128.6
[M+Na]+ 187.05369 137.9
[M-H]- 163.05719 133.0
[M+NH4]+ 182.09829 150.6
[M+K]+ 203.02763 137.2
[M+H-H2O]+ 147.06173 124.1
[M+HCOO]- 209.06267 150.8
[M+CH3COO]- 223.07832 174.1
[M+Na-2H]- 185.03914 136.0
[M]+ 164.06392 130.5
[M]- 164.06502 130.5
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