CID 165982619

2-[3-(chloromethyl)bicyclo[1.1.1]pentan-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C12H20BClO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C23CC(C2)(C3)CCl
InChI
InChI=1S/C12H20BClO2/c1-9(2)10(3,4)16-13(15-9)12-5-11(6-12,7-12)8-14/h5-8H2,1-4H3
InChIKey
YPDKYBPJOHCOPS-UHFFFAOYSA-N
Compound name
2-[3-(chloromethyl)-1-bicyclo[1.1.1]pentanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.12448 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.13176 148.4
[M+Na]+ 265.11370 154.5
[M-H]- 241.11720 155.5
[M+NH4]+ 260.15830 156.6
[M+K]+ 281.08764 158.2
[M+H-H2O]+ 225.12174 141.0
[M+HCOO]- 287.12268 156.5
[M+CH3COO]- 301.13833 216.7
[M+Na-2H]- 263.09915 155.8
[M]+ 242.12393 176.4
[M]- 242.12503 176.4
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

No patent data available for this compound.