CID 2773426

2-formylthiophene-3-boronic acid

Structural Information

Molecular Formula
C5H5BO3S
SMILES
B(C1=C(SC=C1)C=O)(O)O
InChI
InChI=1S/C5H5BO3S/c7-3-5-4(6(8)9)1-2-10-5/h1-3,8-9H
InChIKey
BBENFHSYKBYWJX-UHFFFAOYSA-N
Compound name
(2-formylthiophen-3-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

287
Patents

156.00525 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.01253 129.8
[M+Na]+ 178.99447 139.2
[M+NH4]+ 174.03907 137.7
[M+K]+ 194.96841 135.2
[M-H]- 154.99797 129.5
[M+Na-2H]- 176.97992 133.1
[M]+ 156.00470 131.2
[M]- 156.00580 131.2
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

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