CID 57936200

1361395-07-4

Structural Information

Molecular Formula
C15H21BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CC(=O)C
InChI
InChI=1S/C15H21BO3/c1-11(17)10-12-6-8-13(9-7-12)16-18-14(2,3)15(4,5)19-16/h6-9H,10H2,1-5H3
InChIKey
ZBHPRGCLNZTACG-UHFFFAOYSA-N
Compound name
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

260.1584 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.16568 155.2
[M+Na]+ 283.14762 163.8
[M-H]- 259.15112 163.8
[M+NH4]+ 278.19222 175.7
[M+K]+ 299.12156 164.1
[M+H-H2O]+ 243.15566 151.0
[M+HCOO]- 305.15660 175.0
[M+CH3COO]- 319.17225 197.1
[M+Na-2H]- 281.13307 159.5
[M]+ 260.15785 159.2
[M]- 260.15895 159.2
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