CID 99973062

1622986-23-5

Structural Information

Molecular Formula
C11H15BO4
SMILES
B(C1=CC=C(C=C1)C2(CCOCC2)O)(O)O
InChI
InChI=1S/C11H15BO4/c13-11(5-7-16-8-6-11)9-1-3-10(4-2-9)12(14)15/h1-4,13-15H,5-8H2
InChIKey
BJVQFACZRDIKSQ-UHFFFAOYSA-N
Compound name
[4-(4-hydroxyoxan-4-yl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.10634 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.11362 148.1
[M+Na]+ 245.09556 152.8
[M-H]- 221.09906 151.1
[M+NH4]+ 240.14016 164.5
[M+K]+ 261.06950 151.5
[M+H-H2O]+ 205.10360 142.4
[M+HCOO]- 267.10454 163.4
[M+CH3COO]- 281.12019 178.9
[M+Na-2H]- 243.08101 153.3
[M]+ 222.10579 143.3
[M]- 222.10689 143.3
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.