CID 130058041

[4-(dimethylphosphoryl)phenyl]boronic acid

Structural Information

Molecular Formula
C8H12BO3P
SMILES
B(C1=CC=C(C=C1)P(=O)(C)C)(O)O
InChI
InChI=1S/C8H12BO3P/c1-13(2,12)8-5-3-7(4-6-8)9(10)11/h3-6,10-11H,1-2H3
InChIKey
RKAQFJAWJNLUCL-UHFFFAOYSA-N
Compound name
(4-dimethylphosphorylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.0617 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.06898 142.0
[M+Na]+ 221.05092 152.5
[M+NH4]+ 216.09552 148.7
[M+K]+ 237.02486 148.8
[M-H]- 197.05442 141.4
[M+Na-2H]- 219.03637 146.5
[M]+ 198.06115 143.1
[M]- 198.06225 143.1
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.