CID 11600797

5-(methoxycarbonyl)thiophene-2-boronic acid

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

62
Patents

186.01581 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.02309 136.4
[M+Na]+ 209.00503 144.3
[M-H]- 185.00853 138.1
[M+NH4]+ 204.04963 157.1
[M+K]+ 224.97897 142.9
[M+H-H2O]+ 169.01307 131.8
[M+HCOO]- 231.01401 153.1
[M+CH3COO]- 245.02966 172.9
[M+Na-2H]- 206.99048 136.5
[M]+ 186.01526 138.9
[M]- 186.01636 138.9
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