CID 23005355

5-bromobenzo[b]thiophene-2-boronic acid

Structural Information

Molecular Formula
C8H6BBrO2S
SMILES
B(C1=CC2=C(S1)C=CC(=C2)Br)(O)O
InChI
InChI=1S/C8H6BBrO2S/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4,11-12H
InChIKey
RUQKSUMPFAJLNQ-UHFFFAOYSA-N
Compound name
(5-bromo-1-benzothiophen-2-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

33
Patents

255.9365 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.94378 138.9
[M+Na]+ 278.92572 153.0
[M-H]- 254.92922 144.9
[M+NH4]+ 273.97032 162.3
[M+K]+ 294.89966 140.9
[M+H-H2O]+ 238.93376 140.9
[M+HCOO]- 300.93470 155.0
[M+CH3COO]- 314.95035 154.7
[M+Na-2H]- 276.91117 144.3
[M]+ 255.93595 160.2
[M]- 255.93705 160.2
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