CID 11746466

2-(5-chloropent-1-en-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C11H20BClO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C(=C)CCCCl
InChI
InChI=1S/C11H20BClO2/c1-9(7-6-8-13)12-14-10(2,3)11(4,5)15-12/h1,6-8H2,2-5H3
InChIKey
XJHIPSXPGRGBSA-UHFFFAOYSA-N
Compound name
2-(5-chloropent-1-en-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.12448 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.13176 147.1
[M+Na]+ 253.11370 155.7
[M-H]- 229.11720 152.0
[M+NH4]+ 248.15830 169.6
[M+K]+ 269.08764 154.6
[M+H-H2O]+ 213.12174 145.2
[M+HCOO]- 275.12268 161.8
[M+CH3COO]- 289.13833 190.1
[M+Na-2H]- 251.09915 151.6
[M]+ 230.12393 151.9
[M]- 230.12503 151.9
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.