CID 59133184

1072811-86-9

Structural Information

Molecular Formula
C15H19BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(O2)C(=CC=C3)OC
InChI
InChI=1S/C15H19BO4/c1-14(2)15(3,4)20-16(19-14)12-9-10-7-6-8-11(17-5)13(10)18-12/h6-9H,1-5H3
InChIKey
QRDKVKFLDQQDFZ-UHFFFAOYSA-N
Compound name
2-(7-methoxy-1-benzofuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

274.13763 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.14491 155.3
[M+Na]+ 297.12685 167.3
[M-H]- 273.13035 166.5
[M+NH4]+ 292.17145 177.1
[M+K]+ 313.10079 168.2
[M+H-H2O]+ 257.13489 152.3
[M+HCOO]- 319.13583 177.1
[M+CH3COO]- 333.15148 170.8
[M+Na-2H]- 295.11230 161.9
[M]+ 274.13708 164.2
[M]- 274.13818 164.2
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