CID 170911501

5-(4,4,5,5-tetraethyl-1,3,2-dioxaborolan-2-yl)furan-2-carbaldehyde

Structural Information

Molecular Formula
C15H23BO4
SMILES
B1(OC(C(O1)(CC)CC)(CC)CC)C2=CC=C(O2)C=O
InChI
InChI=1S/C15H23BO4/c1-5-14(6-2)15(7-3,8-4)20-16(19-14)13-10-9-12(11-17)18-13/h9-11H,5-8H2,1-4H3
InChIKey
WKALRBAZADKCBP-UHFFFAOYSA-N
Compound name
5-(4,4,5,5-tetraethyl-1,3,2-dioxaborolan-2-yl)furan-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.16895 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.17623 159.0
[M+Na]+ 301.15817 167.6
[M-H]- 277.16167 167.9
[M+NH4]+ 296.20277 179.1
[M+K]+ 317.13211 168.7
[M+H-H2O]+ 261.16621 156.3
[M+HCOO]- 323.16715 179.6
[M+CH3COO]- 337.18280 198.9
[M+Na-2H]- 299.14362 163.4
[M]+ 278.16840 166.4
[M]- 278.16950 166.4
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.