CID 5017652

4-(tetrahydro-2h-pyran-2-yloxy)phenylboronic acid (contains varying amounts of anhydride)

Structural Information

Molecular Formula
C11H15BO4
SMILES
B(C1=CC=C(C=C1)OC2CCCCO2)(O)O
InChI
InChI=1S/C11H15BO4/c13-12(14)9-4-6-10(7-5-9)16-11-3-1-2-8-15-11/h4-7,11,13-14H,1-3,8H2
InChIKey
DMGMCZRNMYQQQB-UHFFFAOYSA-N
Compound name
[4-(oxan-2-yloxy)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

199
Patents

222.10634 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.11362 146.9
[M+Na]+ 245.09556 151.0
[M-H]- 221.09906 150.8
[M+NH4]+ 240.14016 161.9
[M+K]+ 261.06950 150.2
[M+H-H2O]+ 205.10360 140.1
[M+HCOO]- 267.10454 163.7
[M+CH3COO]- 281.12019 181.7
[M+Na-2H]- 243.08101 151.4
[M]+ 222.10579 143.4
[M]- 222.10689 143.4
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.