CID 2760592

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C14H19BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)OCCO3
InChI
InChI=1S/C14H19BO4/c1-13(2)14(3,4)19-15(18-13)10-5-6-11-12(9-10)17-8-7-16-11/h5-6,9H,7-8H2,1-4H3
InChIKey
WIIBAHCYWOUFRM-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

262.13763 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.144906 155.6
[M+Na]+ 285.126848 164.3
[M-H]- 261.130354 165.9
[M+NH4]+ 280.171453 174.0
[M+K]+ 301.100788 166.9
[M+H-H2O]+ 245.134890 151.1
[M+HCOO]- 307.135831 171.5
[M+CH3COO]- 321.151481 169.1
[M+Na-2H]- 283.112296 163.2
[M]+ 262.13708142 159.1
[M]- 262.13817858 159.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe