CID 58406878

1116104-19-8

Structural Information

Molecular Formula
C14H19BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C(=CC=C2)OCCO3
InChI
InChI=1S/C14H19BO4/c1-13(2)14(3,4)19-15(18-13)10-6-5-7-11-12(10)17-9-8-16-11/h5-7H,8-9H2,1-4H3
InChIKey
SRYMPUVRYXDBRL-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1,4-benzodioxin-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

262.13763 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.14491 155.6
[M+Na]+ 285.12685 164.3
[M-H]- 261.13035 165.9
[M+NH4]+ 280.17145 174.0
[M+K]+ 301.10079 166.9
[M+H-H2O]+ 245.13489 151.1
[M+HCOO]- 307.13583 171.5
[M+CH3COO]- 321.15148 169.1
[M+Na-2H]- 283.11230 163.2
[M]+ 262.13708 159.1
[M]- 262.13818 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

No literature data available for this compound.

Patent stripe

patents stripe