CID 44119364

2-carboxythiophene-4-boronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
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

No literature data available for this compound.

Patent stripe

patents stripe