CID 21884630

177735-10-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

142.02599 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.03327 126.7
[M+Na]+ 165.01521 136.6
[M+NH4]+ 160.05981 135.4
[M+K]+ 180.98915 132.1
[M-H]- 141.01871 127.2
[M+Na-2H]- 163.00066 130.6
[M]+ 142.02544 128.5
[M]- 142.02654 128.5
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