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

17
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

No literature data available for this compound.

Patent stripe

patents stripe