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

15
Patents

272.1584 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.165676 152.8
[M+Na]+ 295.147618 160.3
[M-H]- 271.151124 164.5
[M+NH4]+ 290.192223 166.4
[M+K]+ 311.121558 162.7
[M+H-H2O]+ 255.155660 144.2
[M+HCOO]- 317.156601 171.6
[M+CH3COO]- 331.172251 201.5
[M+Na-2H]- 293.133066 156.8
[M]+ 272.15785142 163.9
[M]- 272.15894858 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