CID 132344214

1609119-82-5

Structural Information

Molecular Formula
C16H21BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3CC(=O)C3
InChI
InChI=1S/C16H21BO3/c1-15(2)16(3,4)20-17(19-15)13-7-5-11(6-8-13)12-9-14(18)10-12/h5-8,12H,9-10H2,1-4H3
InChIKey
GDQNMLOVZSWLIZ-UHFFFAOYSA-N
Compound name
3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

272.1584 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.16568 152.8
[M+Na]+ 295.14762 160.3
[M-H]- 271.15112 164.5
[M+NH4]+ 290.19222 166.4
[M+K]+ 311.12156 162.7
[M+H-H2O]+ 255.15566 144.2
[M+HCOO]- 317.15660 171.6
[M+CH3COO]- 331.17225 201.5
[M+Na-2H]- 293.13307 156.8
[M]+ 272.15785 163.9
[M]- 272.15895 163.9
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