CID 2734358

Furan-3-boronic acid

Structural Information

Molecular Formula
C4H5BO3
SMILES
B(C1=COC=C1)(O)O
InChI
InChI=1S/C4H5BO3/c6-5(7)4-1-2-8-3-4/h1-3,6-7H
InChIKey
CYEFKCRAAGLNHW-UHFFFAOYSA-N
Compound name
furan-3-ylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5332
Patents

112.03317 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.04045 116.8
[M+Na]+ 135.02239 124.7
[M-H]- 111.02589 118.8
[M+NH4]+ 130.06699 138.6
[M+K]+ 150.99633 125.2
[M+H-H2O]+ 95.030430 112.5
[M+HCOO]- 157.03137 139.2
[M+CH3COO]- 171.04702 160.3
[M+Na-2H]- 133.00784 123.9
[M]+ 112.03262 116.4
[M]- 112.03372 116.4
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