CID 44629969

1369328-62-0

Structural Information

Molecular Formula
C9H7BO3S2
SMILES
B(C1=CC=C(S1)C2=CC=C(S2)C=O)(O)O
InChI
InChI=1S/C9H7BO3S2/c11-5-6-1-2-7(14-6)8-3-4-9(15-8)10(12)13/h1-5,12-13H
InChIKey
RDIOTSOSMWVMSX-UHFFFAOYSA-N
Compound name
[5-(5-formylthiophen-2-yl)thiophen-2-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

237.99297 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.00025 149.4
[M+Na]+ 260.98219 159.5
[M+NH4]+ 256.02679 157.7
[M+K]+ 276.95613 154.3
[M-H]- 236.98569 151.4
[M+Na-2H]- 258.96764 153.7
[M]+ 237.99242 152.2
[M]- 237.99352 152.2
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