CID 2773480

4-isopropylphenylboronic acid

Structural Information

Molecular Formula
C9H13BO2
SMILES
B(C1=CC=C(C=C1)C(C)C)(O)O
InChI
InChI=1S/C9H13BO2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7,11-12H,1-2H3
InChIKey
IAEUFBDMVKQCLU-UHFFFAOYSA-N
Compound name
(4-propan-2-ylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1647
Patents

164.10086 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.10814 134.7
[M+Na]+ 187.09008 146.3
[M+NH4]+ 182.13468 142.8
[M+K]+ 203.06402 141.5
[M-H]- 163.09358 135.7
[M+Na-2H]- 185.07553 140.3
[M]+ 164.10031 136.5
[M]- 164.10141 136.5
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

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