CID 46738967

951233-64-0

Structural Information

Molecular Formula
C11H17BO5S
SMILES
B(C1=CC(=CC=C1)S(=O)(=O)OCC(C)(C)C)(O)O
InChI
InChI=1S/C11H17BO5S/c1-11(2,3)8-17-18(15,16)10-6-4-5-9(7-10)12(13)14/h4-7,13-14H,8H2,1-3H3
InChIKey
DSIKBUNPVSSUEU-UHFFFAOYSA-N
Compound name
[3-(2,2-dimethylpropoxysulfonyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

272.089 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.09628 158.2
[M+Na]+ 295.07822 164.8
[M-H]- 271.08172 159.2
[M+NH4]+ 290.12282 173.6
[M+K]+ 311.05216 162.4
[M+H-H2O]+ 255.08626 153.0
[M+HCOO]- 317.08720 170.9
[M+CH3COO]- 331.10285 189.3
[M+Na-2H]- 293.06367 161.5
[M]+ 272.08845 162.0
[M]- 272.08955 162.0
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