CID 123340739

2-(3-chloro-4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C14H20BClO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)CC)Cl
InChI
InChI=1S/C14H20BClO2/c1-6-10-7-8-11(9-12(10)16)15-17-13(2,3)14(4,5)18-15/h7-9H,6H2,1-5H3
InChIKey
NVMHLIUONOGQPT-UHFFFAOYSA-N
Compound name
2-(3-chloro-4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

266.12448 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13176 154.6
[M+Na]+ 289.11370 165.3
[M-H]- 265.11720 163.4
[M+NH4]+ 284.15830 176.2
[M+K]+ 305.08764 163.4
[M+H-H2O]+ 249.12174 151.1
[M+HCOO]- 311.12268 170.7
[M+CH3COO]- 325.13833 196.8
[M+Na-2H]- 287.09915 159.2
[M]+ 266.12393 160.3
[M]- 266.12503 160.3
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