CID 2734355

5-formylfuran-2-boronic acid

Structural Information

Molecular Formula
C5H5BO4
SMILES
B(C1=CC=C(O1)C=O)(O)O
InChI
InChI=1S/C5H5BO4/c7-3-4-1-2-5(10-4)6(8)9/h1-3,8-9H
InChIKey
JUWYQISLQJRRNT-UHFFFAOYSA-N
Compound name
(5-formylfuran-2-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1168
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

literature stripe

Patent stripe

patents stripe