CID 5146717

243140-14-9

Structural Information

Molecular Formula
C10H13BO4
SMILES
B(C1=CC=CC=C1C2(OCCO2)C)(O)O
InChI
InChI=1S/C10H13BO4/c1-10(14-6-7-15-10)8-4-2-3-5-9(8)11(12)13/h2-5,12-13H,6-7H2,1H3
InChIKey
LQXLVSDIQAVYOM-UHFFFAOYSA-N
Compound name
[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
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 149.1
[M-H]- 207.083404 148.0
[M+NH4]+ 226.124503 160.9
[M+K]+ 247.053838 149.5
[M+H-H2O]+ 191.087940 137.8
[M+HCOO]- 253.088881 160.9
[M+CH3COO]- 267.104531 177.9
[M+Na-2H]- 229.065346 148.2
[M]+ 208.09013142 141.9
[M]- 208.09122858 141.9
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