CID 11031671

1-phenylvinylboronic acid, pinacol ester

Structural Information

Molecular Formula
C14H19BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C(=C)C2=CC=CC=C2
InChI
InChI=1S/C14H19BO2/c1-11(12-9-7-6-8-10-12)15-16-13(2,3)14(4,5)17-15/h6-10H,1H2,2-5H3
InChIKey
RMGBWPMWUZSIMH-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(1-phenylethenyl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

167
Patents

230.14781 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.15509 148.7
[M+Na]+ 253.13703 157.0
[M-H]- 229.14053 157.2
[M+NH4]+ 248.18163 170.2
[M+K]+ 269.11097 156.9
[M+H-H2O]+ 213.14507 144.4
[M+HCOO]- 275.14601 168.7
[M+CH3COO]- 289.16166 190.8
[M+Na-2H]- 251.12248 153.9
[M]+ 230.14726 150.4
[M]- 230.14836 150.4
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