CID 53217128

1111096-20-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

266.12448 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13176 153.1
[M+Na]+ 289.11370 164.7
[M-H]- 265.11720 162.3
[M+NH4]+ 284.15830 175.0
[M+K]+ 305.08764 162.8
[M+H-H2O]+ 249.12174 150.0
[M+HCOO]- 311.12268 169.2
[M+CH3COO]- 325.13833 198.0
[M+Na-2H]- 287.09915 157.3
[M]+ 266.12393 159.2
[M]- 266.12503 159.2
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