CID 91971227

(5-cyanofuran-2-yl)boronic acid

Structural Information

Molecular Formula
C5H4BNO3
SMILES
B(C1=CC=C(O1)C#N)(O)O
InChI
InChI=1S/C5H4BNO3/c7-3-4-1-2-5(10-4)6(8)9/h1-2,8-9H
InChIKey
LCJDRKYWTRYVQS-UHFFFAOYSA-N
Compound name
(5-cyanofuran-2-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.02843 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.035706 124.5
[M+Na]+ 160.017648 134.9
[M-H]- 136.021154 126.3
[M+NH4]+ 155.062253 143.2
[M+K]+ 175.991588 133.9
[M+H-H2O]+ 120.025690 113.0
[M+HCOO]- 182.026631 143.1
[M+CH3COO]- 196.042281 179.6
[M+Na-2H]- 158.003096 130.0
[M]+ 137.02788142 119.7
[M]- 137.02897858 119.7
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

No patent data available for this compound.