CID 167734305

En300-45205283

Structural Information

Molecular Formula
C16H23BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)[C@@H]2CCO[C@@H]2C3=CC=CC=C3
InChI
InChI=1S/C16H23BO3/c1-15(2)16(3,4)20-17(19-15)13-10-11-18-14(13)12-8-6-5-7-9-12/h5-9,13-14H,10-11H2,1-4H3/t13-,14-/m1/s1
InChIKey
PGJYIQCAUPEBMN-ZIAGYGMSSA-N
Compound name
4,4,5,5-tetramethyl-2-[(2S,3R)-2-phenyloxolan-3-yl]-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 159.5
[M+Na]+ 297.16322 167.0
[M-H]- 273.16672 171.3
[M+NH4]+ 292.20782 179.3
[M+K]+ 313.13716 167.9
[M+H-H2O]+ 257.17126 155.6
[M+HCOO]- 319.17220 178.1
[M+CH3COO]- 333.18785 172.9
[M+Na-2H]- 295.14867 162.5
[M]+ 274.17345 161.1
[M]- 274.17455 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.