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 127.7
[M+Na]+ 177.03295 135.6
[M-H]- 153.03645 129.8
[M+NH4]+ 172.07755 147.8
[M+K]+ 193.00689 135.9
[M+H-H2O]+ 137.04099 123.2
[M+HCOO]- 199.04193 148.8
[M+CH3COO]- 213.05758 169.7
[M+Na-2H]- 175.01840 131.8
[M]+ 154.04318 128.5
[M]- 154.04428 128.5
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.