CID 133636356

2222997-41-1

Structural Information

Molecular Formula
C16H23BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3CCOC3
InChI
InChI=1S/C16H23BO3/c1-15(2)16(3,4)20-17(19-15)14-7-5-12(6-8-14)13-9-10-18-11-13/h5-8,13H,9-11H2,1-4H3
InChIKey
QXPKQZVQHKLIPK-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[4-(oxolan-3-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]+ 275.181276 159.5
[M+Na]+ 297.163218 167.0
[M-H]- 273.166724 171.3
[M+NH4]+ 292.207823 179.3
[M+K]+ 313.137158 167.9
[M+H-H2O]+ 257.171260 155.6
[M+HCOO]- 319.172201 178.1
[M+CH3COO]- 333.187851 172.9
[M+Na-2H]- 295.148666 162.5
[M]+ 274.17345142 161.1
[M]- 274.17454858 161.1
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.