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

4030
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

literature stripe

Patent stripe

patents stripe