CID 2734360

4-hydroxyphenylboronic acid

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

3
References

5959
Patents

138.04883 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.056106 124.0
[M+Na]+ 161.038048 131.7
[M-H]- 137.041554 124.2
[M+NH4]+ 156.082653 143.8
[M+K]+ 177.011988 129.7
[M+H-H2O]+ 121.046090 119.5
[M+HCOO]- 183.047031 144.5
[M+CH3COO]- 197.062681 165.0
[M+Na-2H]- 159.023496 130.1
[M]+ 138.04828142 121.6
[M]- 138.04937858 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