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

296
Patents

156.00525 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.01253 128.3
[M+Na]+ 178.99447 137.1
[M-H]- 154.99797 130.1
[M+NH4]+ 174.03907 150.3
[M+K]+ 194.96841 134.8
[M+H-H2O]+ 139.00251 123.9
[M+HCOO]- 201.00345 146.1
[M+CH3COO]- 215.01910 167.5
[M+Na-2H]- 176.97992 129.8
[M]+ 156.00470 129.7
[M]- 156.00580 129.7
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

patents stripe