CID 46738927

352530-25-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

170.02089 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.02817 134.2
[M+Na]+ 193.01011 143.7
[M+NH4]+ 188.05471 141.8
[M+K]+ 208.98405 139.7
[M-H]- 169.01361 133.9
[M+Na-2H]- 190.99556 137.0
[M]+ 170.02034 135.6
[M]- 170.02144 135.6
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