CID 44119364

913835-91-3

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

100
Patents

172.00015 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.00743 133.2
[M+Na]+ 194.98937 141.2
[M+NH4]+ 190.03397 139.9
[M+K]+ 210.96331 138.9
[M-H]- 170.99287 131.6
[M+Na-2H]- 192.97482 135.1
[M]+ 171.99960 133.9
[M]- 172.00070 133.9
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