CID 66827

Phenylboronic acid

Structural Information

Molecular Formula
C6H7BO2
SMILES
B(C1=CC=CC=C1)(O)O
InChI
InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
InChIKey
HXITXNWTGFUOAU-UHFFFAOYSA-N
Compound name
phenylboronic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1125
References

107246
Patents

122.05391 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.06119 120.8
[M+Na]+ 145.04313 128.0
[M-H]- 121.04663 122.0
[M+NH4]+ 140.08773 141.7
[M+K]+ 161.01707 126.4
[M+H-H2O]+ 105.05117 116.1
[M+HCOO]- 167.05211 142.6
[M+CH3COO]- 181.06776 164.2
[M+Na-2H]- 143.02858 128.1
[M]+ 122.05336 118.4
[M]- 122.05446 118.4
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.