CID 4143377

206551-43-1

Structural Information

Molecular Formula
C6H7BO3S
SMILES
B(C1=CC=C(S1)C(=O)C)(O)O
InChI
InChI=1S/C6H7BO3S/c1-4(8)5-2-3-6(11-5)7(9)10/h2-3,9-10H,1H3
InChIKey
DCNMATSPQKWETQ-UHFFFAOYSA-N
Compound name
(5-acetylthiophen-2-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

681
Patents

170.02089 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.02817 134.3
[M+Na]+ 193.01011 143.1
[M+NH4]+ 188.05471 141.8
[M+K]+ 208.98405 139.7
[M-H]- 169.01361 133.7
[M+Na-2H]- 190.99556 137.0
[M]+ 170.02034 135.5
[M]- 170.02144 135.5
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