CID 132398458

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

Structural Information

Molecular Formula
C16H23BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3(CCO3)C
InChI
InChI=1S/C16H23BO3/c1-14(2)15(3,4)20-17(19-14)13-8-6-12(7-9-13)16(5)10-11-18-16/h6-9H,10-11H2,1-5H3
InChIKey
GHUNZFXXDLLRNO-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[4-(2-methyloxetan-2-yl)phenyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.174 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.18128 154.8
[M+Na]+ 297.16322 162.9
[M+NH4]+ 292.20782 163.3
[M+K]+ 313.13716 156.4
[M-H]- 273.16672 160.5
[M+Na-2H]- 295.14867 162.1
[M]+ 274.17345 157.1
[M]- 274.17455 157.1
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.