CID 22240135

4,4,5,5-tetramethyl-2-[3-(propan-2-yl)phenyl]-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C15H23BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(C)C
InChI
InChI=1S/C15H23BO2/c1-11(2)12-8-7-9-13(10-12)16-17-14(3,4)15(5,6)18-16/h7-11H,1-6H3
InChIKey
ORRCXIHAXGJPNU-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(3-propan-2-ylphenyl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

246.17911 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.186386 153.2
[M+Na]+ 269.168328 161.6
[M-H]- 245.171834 161.8
[M+NH4]+ 264.212933 174.4
[M+K]+ 285.142268 162.0
[M+H-H2O]+ 229.176370 149.0
[M+HCOO]- 291.177311 172.6
[M+CH3COO]- 305.192961 195.8
[M+Na-2H]- 267.153776 157.3
[M]+ 246.17856142 156.4
[M]- 246.17965858 156.4
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

patents stripe