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

122
Patents

140.02809 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.03537 124.2
[M+Na]+ 163.01731 134.2
[M+NH4]+ 158.06191 131.1
[M+K]+ 178.99125 133.2
[M-H]- 139.02081 124.5
[M+Na-2H]- 161.00276 127.6
[M]+ 140.02754 125.3
[M]- 140.02864 125.3
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