CID 2773299

{3-[(tert-butoxy)carbonyl]phenyl}boronic acid

Structural Information

Molecular Formula
C11H15BO4
SMILES
B(C1=CC(=CC=C1)C(=O)OC(C)(C)C)(O)O
InChI
InChI=1S/C11H15BO4/c1-11(2,3)16-10(13)8-5-4-6-9(7-8)12(14)15/h4-7,14-15H,1-3H3
InChIKey
HVJDVHCPCSZDSR-UHFFFAOYSA-N
Compound name
[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

870
Patents

222.10634 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.11362 147.7
[M+Na]+ 245.09556 154.1
[M-H]- 221.09906 148.8
[M+NH4]+ 240.14016 164.9
[M+K]+ 261.06950 152.9
[M+H-H2O]+ 205.10360 142.6
[M+HCOO]- 267.10454 166.0
[M+CH3COO]- 281.12019 183.8
[M+Na-2H]- 243.08101 151.3
[M]+ 222.10579 148.5
[M]- 222.10689 148.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe