CID 2734359

87199-18-6

Structural Information

Molecular Formula
C6H7BO3
SMILES
B(C1=CC(=CC=C1)O)(O)O
InChI
InChI=1S/C6H7BO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8-10H
InChIKey
WFWQWTPAPNEOFE-UHFFFAOYSA-N
Compound name
(3-hydroxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3928
Patents

138.04883 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.05611 124.0
[M+Na]+ 161.03805 131.7
[M-H]- 137.04155 124.2
[M+NH4]+ 156.08265 143.8
[M+K]+ 177.01199 129.7
[M+H-H2O]+ 121.04609 119.5
[M+HCOO]- 183.04703 144.5
[M+CH3COO]- 197.06268 165.0
[M+Na-2H]- 159.02350 130.1
[M]+ 138.04828 121.6
[M]- 138.04938 121.6
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.