CID 165879814

En300-37272763

Structural Information

Molecular Formula
C15H19BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C(=C2)C=O)OCC3
InChI
InChI=1S/C15H19BO4/c1-14(2)15(3,4)20-16(19-14)12-7-10-5-6-18-13(10)11(8-12)9-17/h7-9H,5-6H2,1-4H3
InChIKey
BVPYRGKNAIEFPQ-UHFFFAOYSA-N
Compound name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1-benzofuran-7-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.13763 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.14491 156.7
[M+Na]+ 297.12685 166.8
[M-H]- 273.13035 167.0
[M+NH4]+ 292.17145 178.1
[M+K]+ 313.10079 167.3
[M+H-H2O]+ 257.13489 153.9
[M+HCOO]- 319.13583 175.7
[M+CH3COO]- 333.15148 198.1
[M+Na-2H]- 295.11230 161.5
[M]+ 274.13708 161.9
[M]- 274.13818 161.9
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

No patent data available for this compound.