CID 154706099

2-(3-tert-butyl-4-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C16H24BClO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)Cl)C(C)(C)C
InChI
InChI=1S/C16H24BClO2/c1-14(2,3)12-10-11(8-9-13(12)18)17-19-15(4,5)16(6,7)20-17/h8-10H,1-7H3
InChIKey
PTNWSLOFWQETLX-UHFFFAOYSA-N
Compound name
2-(3-tert-butyl-4-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.1558 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.16308 162.4
[M+Na]+ 317.14502 172.7
[M-H]- 293.14852 171.3
[M+NH4]+ 312.18962 183.1
[M+K]+ 333.11896 171.0
[M+H-H2O]+ 277.15306 159.4
[M+HCOO]- 339.15400 176.3
[M+CH3COO]- 353.16965 202.6
[M+Na-2H]- 315.13047 167.3
[M]+ 294.15525 168.4
[M]- 294.15635 168.4
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.