CID 138039395

7-(tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1h-2-benzopyran-1-one

Structural Information

Molecular Formula
C15H19BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(CCOC3=O)C=C2
InChI
InChI=1S/C15H19BO4/c1-14(2)15(3,4)20-16(19-14)11-6-5-10-7-8-18-13(17)12(10)9-11/h5-6,9H,7-8H2,1-4H3
InChIKey
AGBFBJNSELRFKC-UHFFFAOYSA-N
Compound name
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisochromen-1-one
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 157.5
[M+Na]+ 297.12685 166.9
[M-H]- 273.13035 167.6
[M+NH4]+ 292.17145 177.1
[M+K]+ 313.10079 167.8
[M+H-H2O]+ 257.13489 152.9
[M+HCOO]- 319.13583 174.3
[M+CH3COO]- 333.15148 198.5
[M+Na-2H]- 295.11230 163.6
[M]+ 274.13708 160.5
[M]- 274.13818 160.5
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.