CID 72942450

1355094-04-0

Structural Information

Molecular Formula
C14H18BClO2
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C2=CC=CC=C2Cl
InChI
InChI=1S/C14H18BClO2/c1-13(2)14(3,4)18-15(17-13)10-9-11-7-5-6-8-12(11)16/h5-10H,1-4H3/b10-9+
InChIKey
LSWXAAQYYFRGPI-MDZDMXLPSA-N
Compound name
2-[(E)-2-(2-chlorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.10883 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.11611 155.5
[M+Na]+ 287.09805 169.4
[M+NH4]+ 282.14265 167.1
[M+K]+ 303.07199 160.4
[M-H]- 263.10155 161.7
[M+Na-2H]- 285.08350 164.1
[M]+ 264.10828 160.0
[M]- 264.10938 160.0
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

No patent data available for this compound.