CID 2773430

4347-33-5

Structural Information

Molecular Formula
C5H5BO3S
SMILES
B(C1=CC=C(S1)C=O)(O)O
InChI
InChI=1S/C5H5BO3S/c7-3-4-1-2-5(10-4)6(8)9/h1-3,8-9H
InChIKey
DEQOVKFWRPOPQP-UHFFFAOYSA-N
Compound name
(5-formylthiophen-2-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

932
Patents

156.00525 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.01253 128.3
[M+Na]+ 178.99447 137.1
[M-H]- 154.99797 130.1
[M+NH4]+ 174.03907 150.3
[M+K]+ 194.96841 134.8
[M+H-H2O]+ 139.00251 123.9
[M+HCOO]- 201.00345 146.1
[M+CH3COO]- 215.01910 167.5
[M+Na-2H]- 176.97992 129.8
[M]+ 156.00470 129.7
[M]- 156.00580 129.7
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