CID 65389

Phenethylboronic acid

Structural Information

Molecular Formula
C8H11BO2
SMILES
B(CCC1=CC=CC=C1)(O)O
InChI
InChI=1S/C8H11BO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5,10-11H,6-7H2
InChIKey
VPRUMANMDWQMNF-UHFFFAOYSA-N
Compound name
2-phenylethylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

11211
Patents

150.0852 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.09248 130.6
[M+Na]+ 173.07442 142.2
[M+NH4]+ 168.11902 138.9
[M+K]+ 189.04836 136.6
[M-H]- 149.07792 131.7
[M+Na-2H]- 171.05987 136.9
[M]+ 150.08465 132.4
[M]- 150.08575 132.4
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