CID 11084115

2-formylthiophene-4-boronic acid

Structural Information

Molecular Formula
C5H5BO3S
SMILES
B(C1=CSC(=C1)C=O)(O)O
InChI
InChI=1S/C5H5BO3S/c7-2-5-1-4(3-10-5)6(8)9/h1-3,8-9H
InChIKey
ZCUFJAORCNFWOF-UHFFFAOYSA-N
Compound name
(5-formylthiophen-3-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

277
Patents

156.00525 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.01253 129.8
[M+Na]+ 178.99447 139.2
[M+NH4]+ 174.03907 137.7
[M+K]+ 194.96841 135.2
[M-H]- 154.99797 129.5
[M+Na-2H]- 176.97992 133.1
[M]+ 156.00470 131.2
[M]- 156.00580 131.2
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