CID 11600797

876189-21-8

Structural Information

Molecular Formula
C6H7BO4S
SMILES
B(C1=CC=C(S1)C(=O)OC)(O)O
InChI
InChI=1S/C6H7BO4S/c1-11-6(8)4-2-3-5(12-4)7(9)10/h2-3,9-10H,1H3
InChIKey
VJWFTDBWRPSNFS-UHFFFAOYSA-N
Compound name
(5-methoxycarbonylthiophen-2-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

186.01581 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.02309 137.6
[M+Na]+ 209.00503 145.9
[M+NH4]+ 204.04963 144.5
[M+K]+ 224.97897 143.0
[M-H]- 185.00853 136.5
[M+Na-2H]- 206.99048 139.8
[M]+ 186.01526 138.5
[M]- 186.01636 138.5
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