CID 54594010

[4-(oxolan-3-yloxy)phenyl]boronic acid

Structural Information

Molecular Formula
C10H13BO4
SMILES
B(C1=CC=C(C=C1)OC2CCOC2)(O)O
InChI
InChI=1S/C10H13BO4/c12-11(13)8-1-3-9(4-2-8)15-10-5-6-14-7-10/h1-4,10,12-13H,5-7H2
InChIKey
UFIRHIKFYGAQSK-UHFFFAOYSA-N
Compound name
[4-(oxolan-3-yloxy)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

208.09068 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.097956 142.5
[M+Na]+ 231.079898 147.9
[M-H]- 207.083404 146.9
[M+NH4]+ 226.124503 160.0
[M+K]+ 247.053838 147.2
[M+H-H2O]+ 191.087940 136.6
[M+HCOO]- 253.088881 161.8
[M+CH3COO]- 267.104531 178.1
[M+Na-2H]- 229.065346 146.1
[M]+ 208.09013142 140.8
[M]- 208.09122858 140.8
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

patents stripe