CID 167724290

En300-39853151

Structural Information

Molecular Formula
C15H17BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(OC3=CC=CC=C23)C=O
InChI
InChI=1S/C15H17BO4/c1-14(2)15(3,4)20-16(19-14)13-10-7-5-6-8-11(10)18-12(13)9-17/h5-9H,1-4H3
InChIKey
OCEDJTMMVNPMAW-UHFFFAOYSA-N
Compound name
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.12198 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.12926 154.3
[M+Na]+ 295.11120 166.5
[M-H]- 271.11470 165.5
[M+NH4]+ 290.15580 176.1
[M+K]+ 311.08514 166.8
[M+H-H2O]+ 255.11924 151.3
[M+HCOO]- 317.12018 176.2
[M+CH3COO]- 331.13583 169.8
[M+Na-2H]- 293.09665 160.9
[M]+ 272.12143 162.4
[M]- 272.12253 162.4
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.