CID 57737847

930303-82-5

Structural Information

Molecular Formula
C5H7BO2S
SMILES
B(C1=CSC(=C1)C)(O)O
InChI
InChI=1S/C5H7BO2S/c1-4-2-5(3-9-4)6(7)8/h2-3,7-8H,1H3
InChIKey
HSHOUTSJZHTVCJ-UHFFFAOYSA-N
Compound name
(5-methylthiophen-3-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

142.02599 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.03327 125.9
[M+Na]+ 165.01521 134.6
[M-H]- 141.01871 127.7
[M+NH4]+ 160.05981 148.7
[M+K]+ 180.98915 132.4
[M+H-H2O]+ 125.02325 121.7
[M+HCOO]- 187.02419 143.3
[M+CH3COO]- 201.03984 166.4
[M+Na-2H]- 163.00066 127.3
[M]+ 142.02544 126.5
[M]- 142.02654 126.5
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