CID 2779807

2-carboxythiophene-5-boronic acid

Structural Information

Molecular Formula
C5H5BO4S
SMILES
B(C1=CC=C(S1)C(=O)O)(O)O
InChI
InChI=1S/C5H5BO4S/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2,9-10H,(H,7,8)
InChIKey
OQGIKNPOYTVNNF-UHFFFAOYSA-N
Compound name
5-boronothiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

486
Patents

172.00015 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.00743 132.2
[M+Na]+ 194.98937 139.9
[M-H]- 170.99287 132.4
[M+NH4]+ 190.03397 152.5
[M+K]+ 210.96331 137.8
[M+H-H2O]+ 154.99741 127.8
[M+HCOO]- 216.99835 147.6
[M+CH3COO]- 231.01400 168.1
[M+Na-2H]- 192.97482 132.2
[M]+ 171.99960 132.4
[M]- 172.00070 132.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe