CID 21706311

193965-30-9

Structural Information

Molecular Formula
C9H9BO3S
SMILES
B(C1=CC2=C(S1)C=CC(=C2)OC)(O)O
InChI
InChI=1S/C9H9BO3S/c1-13-7-2-3-8-6(4-7)5-9(14-8)10(11)12/h2-5,11-12H,1H3
InChIKey
BRFCKEBJRUMDHY-UHFFFAOYSA-N
Compound name
(5-methoxy-1-benzothiophen-2-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

208.03654 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.04382 140.3
[M+Na]+ 231.02576 152.2
[M+NH4]+ 226.07036 149.2
[M+K]+ 246.99970 146.8
[M-H]- 207.02926 141.6
[M+Na-2H]- 229.01121 145.2
[M]+ 208.03599 142.8
[M]- 208.03709 142.8
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