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

471
Patents

234.17911 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.18639 154.8
[M+Na]+ 257.16833 161.5
[M-H]- 233.17183 156.1
[M+NH4]+ 252.21293 172.3
[M+K]+ 273.14227 159.2
[M+H-H2O]+ 217.17637 150.5
[M+HCOO]- 279.17731 170.8
[M+CH3COO]- 293.19296 190.4
[M+Na-2H]- 255.15378 158.3
[M]+ 234.17856 155.1
[M]- 234.17966 155.1
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

No patent data available for this compound.