CID 59788424

4-ethylphenylboronic acid pinacol ester

Structural Information

Molecular Formula
C14H21BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CC
InChI
InChI=1S/C14H21BO2/c1-6-11-7-9-12(10-8-11)15-16-13(2,3)14(4,5)17-15/h7-10H,6H2,1-5H3
InChIKey
RWANCHDMVNWYHW-UHFFFAOYSA-N
Compound name
2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

232.16347 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.170746 148.3
[M+Na]+ 255.152688 157.5
[M-H]- 231.156194 157.1
[M+NH4]+ 250.197293 170.2
[M+K]+ 271.126628 157.6
[M+H-H2O]+ 215.160730 144.1
[M+HCOO]- 277.161671 169.2
[M+CH3COO]- 291.177321 191.9
[M+Na-2H]- 253.138136 154.2
[M]+ 232.16292142 151.8
[M]- 232.16401858 151.8
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