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

108090
Patents

122.05391 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.061186 120.8
[M+Na]+ 145.043128 128.0
[M-H]- 121.046634 122.0
[M+NH4]+ 140.087733 141.7
[M+K]+ 161.017068 126.4
[M+H-H2O]+ 105.051170 116.1
[M+HCOO]- 167.052111 142.6
[M+CH3COO]- 181.067761 164.2
[M+Na-2H]- 143.028576 128.1
[M]+ 122.05336142 118.4
[M]- 122.05445858 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

literature stripe

Patent stripe

patents stripe