CID 2736495

62306-78-9

Structural Information

Molecular Formula
C5H5BO4
SMILES
B(C1=CC(=CO1)C=O)(O)O
InChI
InChI=1S/C5H5BO4/c7-2-4-1-5(6(8)9)10-3-4/h1-3,8-9H
InChIKey
WHHDYDVWDKATTB-UHFFFAOYSA-N
Compound name
(4-formylfuran-2-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

140.02809 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.035366 122.5
[M+Na]+ 163.017308 131.1
[M-H]- 139.020814 124.7
[M+NH4]+ 158.061913 143.2
[M+K]+ 178.991248 131.1
[M+H-H2O]+ 123.025350 118.1
[M+HCOO]- 185.026291 145.0
[M+CH3COO]- 199.041941 165.7
[M+Na-2H]- 161.002756 128.4
[M]+ 140.02754142 123.6
[M]- 140.02863858 123.6
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