CID 23005323

5-acetylfuran-2-boronic acid

Structural Information

Molecular Formula
C6H7BO4
SMILES
B(C1=CC=C(O1)C(=O)C)(O)O
InChI
InChI=1S/C6H7BO4/c1-4(8)5-2-3-6(11-5)7(9)10/h2-3,9-10H,1H3
InChIKey
NQIKSGTUOSWVAK-UHFFFAOYSA-N
Compound name
(5-acetylfuran-2-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.04373 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.05101 128.9
[M+Na]+ 177.03295 138.3
[M+NH4]+ 172.07755 135.4
[M+K]+ 193.00689 137.8
[M-H]- 153.03645 128.9
[M+Na-2H]- 175.01840 131.6
[M]+ 154.04318 129.8
[M]- 154.04428 129.8
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

No patent data available for this compound.