CID 44118526

1-(4-chlorophenyl)vinylboronic acid, pinacol ester

Structural Information

Molecular Formula
C14H18BClO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C(=C)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H18BClO2/c1-10(11-6-8-12(16)9-7-11)15-17-13(2,3)14(4,5)18-15/h6-9H,1H2,2-5H3
InChIKey
JGSGBFKOANEXOW-UHFFFAOYSA-N
Compound name
2-[1-(4-chlorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

264.10883 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.11611 154.7
[M+Na]+ 287.09805 164.5
[M-H]- 263.10155 163.3
[M+NH4]+ 282.14265 175.9
[M+K]+ 303.07199 162.4
[M+H-H2O]+ 247.10609 151.2
[M+HCOO]- 309.10703 170.0
[M+CH3COO]- 323.12268 195.7
[M+Na-2H]- 285.08350 158.7
[M]+ 264.10828 158.7
[M]- 264.10938 158.7
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

patents stripe