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]+ 138.03571 124.5
[M+Na]+ 160.01765 134.9
[M-H]- 136.02115 126.3
[M+NH4]+ 155.06225 143.2
[M+K]+ 175.99159 133.9
[M+H-H2O]+ 120.02569 113.0
[M+HCOO]- 182.02663 143.1
[M+CH3COO]- 196.04228 179.6
[M+Na-2H]- 158.00310 130.0
[M]+ 137.02788 119.7
[M]- 137.02898 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.