CID 46739470

5-(ethoxycarbonyl)furan-2-boronic acid

Structural Information

Molecular Formula
C7H9BO5
SMILES
B(C1=CC=C(O1)C(=O)OCC)(O)O
InChI
InChI=1S/C7H9BO5/c1-2-12-7(9)5-3-4-6(13-5)8(10)11/h3-4,10-11H,2H2,1H3
InChIKey
USBGGMMAQCIWDL-UHFFFAOYSA-N
Compound name
(5-ethoxycarbonylfuran-2-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

184.0543 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.06158 135.2
[M+Na]+ 207.04352 142.6
[M-H]- 183.04702 137.2
[M+NH4]+ 202.08812 154.1
[M+K]+ 223.01746 143.3
[M+H-H2O]+ 167.05156 130.3
[M+HCOO]- 229.05250 156.2
[M+CH3COO]- 243.06815 174.2
[M+Na-2H]- 205.02897 138.8
[M]+ 184.05375 137.8
[M]- 184.05485 137.8
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

patents stripe