CID 121553193

1,3-dihydro-2,1-benzoxaborole-1,4-diol

Structural Information

Molecular Formula
C7H7BO3
SMILES
B1(C2=C(CO1)C(=CC=C2)O)O
InChI
InChI=1S/C7H7BO3/c9-7-3-1-2-6-5(7)4-11-8(6)10/h1-3,9-10H,4H2
InChIKey
IVKXXFQFHVVYKM-UHFFFAOYSA-N
Compound name
1-hydroxy-3H-2,1-benzoxaborol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.04883 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.05611 124.4
[M+Na]+ 173.03805 133.7
[M-H]- 149.04155 127.6
[M+NH4]+ 168.08265 146.3
[M+K]+ 189.01199 132.4
[M+H-H2O]+ 133.04609 120.4
[M+HCOO]- 195.04703 145.4
[M+CH3COO]- 209.06268 168.6
[M+Na-2H]- 171.02350 131.9
[M]+ 150.04828 124.2
[M]- 150.04938 124.2
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

No patent data available for this compound.