CID 78412

Phenyl dihydrogen orthoborate

Structural Information

Molecular Formula
C6H7BO3
SMILES
B(O)(O)OC1=CC=CC=C1
InChI
InChI=1S/C6H7BO3/c8-7(9)10-6-4-2-1-3-5-6/h1-5,8-9H
InChIKey
OSCBARYHPZZEIS-UHFFFAOYSA-N
Compound name
phenoxyboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

9911
Patents

138.04883 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.056106 123.8
[M+Na]+ 161.038048 130.9
[M-H]- 137.041554 125.0
[M+NH4]+ 156.082653 144.0
[M+K]+ 177.011988 129.8
[M+H-H2O]+ 121.046090 118.8
[M+HCOO]- 183.047031 145.9
[M+CH3COO]- 197.062681 166.3
[M+Na-2H]- 159.023496 131.1
[M]+ 138.04828142 122.9
[M]- 138.04937858 122.9
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