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 155.1
[M+Na]+ 287.09805 165.3
[M-H]- 263.10155 163.6
[M+NH4]+ 282.14265 176.4
[M+K]+ 303.07199 162.7
[M+H-H2O]+ 247.10609 151.3
[M+HCOO]- 309.10703 171.4
[M+CH3COO]- 323.12268 194.2
[M+Na-2H]- 285.08350 160.2
[M]+ 264.10828 159.6
[M]- 264.10938 159.6
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.