CID 2770906

2,5-thiophenediylbisboronic acid

Structural Information

Molecular Formula
C4H6B2O4S
SMILES
B(C1=CC=C(S1)B(O)O)(O)O
InChI
InChI=1S/C4H6B2O4S/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2,7-10H
InChIKey
SKFDVFMUXZWWOW-UHFFFAOYSA-N
Compound name
(5-boronothiophen-2-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

229
Patents

172.01729 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.02457 131.5
[M+Na]+ 195.00651 138.5
[M-H]- 171.01001 130.2
[M+NH4]+ 190.05111 151.2
[M+K]+ 210.98045 136.2
[M+H-H2O]+ 155.01455 127.2
[M+HCOO]- 217.01549 145.3
[M+CH3COO]- 231.03114 166.0
[M+Na-2H]- 192.99196 131.3
[M]+ 172.01674 130.5
[M]- 172.01784 130.5
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