CID 44118526

850567-54-3

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 155.5
[M+Na]+ 287.09805 169.0
[M+NH4]+ 282.14265 167.0
[M+K]+ 303.07199 160.9
[M-H]- 263.10155 161.5
[M+Na-2H]- 285.08350 163.7
[M]+ 264.10828 159.9
[M]- 264.10938 159.9
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