CID 11470330

(3,5-di-tert-butylphenyl)boronic acid

Structural Information

Molecular Formula
C14H23BO2
SMILES
B(C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)(O)O
InChI
InChI=1S/C14H23BO2/c1-13(2,3)10-7-11(14(4,5)6)9-12(8-10)15(16)17/h7-9,16-17H,1-6H3
InChIKey
RPCBIEHUQSGPNA-UHFFFAOYSA-N
Compound name
(3,5-ditert-butylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

546
Patents

234.17911 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.18639 156.9
[M+Na]+ 257.16833 167.5
[M+NH4]+ 252.21293 163.8
[M+K]+ 273.14227 163.4
[M-H]- 233.17183 156.7
[M+Na-2H]- 255.15378 161.1
[M]+ 234.17856 158.4
[M]- 234.17966 158.4
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