CID 46781076

Coumarin-7-pinacolboronate

Structural Information

Molecular Formula
C15H17BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C=CC(=O)O3
InChI
InChI=1S/C15H17BO4/c1-14(2)15(3,4)20-16(19-14)11-7-5-10-6-8-13(17)18-12(10)9-11/h5-9H,1-4H3
InChIKey
BSNRAQZLNMHAOJ-UHFFFAOYSA-N
Compound name
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

272.12198 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.12926 155.4
[M+Na]+ 295.11120 166.9
[M-H]- 271.11470 166.3
[M+NH4]+ 290.15580 175.2
[M+K]+ 311.08514 167.5
[M+H-H2O]+ 255.11924 150.6
[M+HCOO]- 317.12018 175.1
[M+CH3COO]- 331.13583 170.1
[M+Na-2H]- 293.09665 163.3
[M]+ 272.12143 161.3
[M]- 272.12253 161.3
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