CID 62276858

(7-fluoro-1-benzothiophen-2-yl)boronic acid

Structural Information

Molecular Formula
C8H6BFO2S
SMILES
B(C1=CC2=C(S1)C(=CC=C2)F)(O)O
InChI
InChI=1S/C8H6BFO2S/c10-6-3-1-2-5-4-7(9(11)12)13-8(5)6/h1-4,11-12H
InChIKey
XHKPWUCLODJEEC-UHFFFAOYSA-N
Compound name
(7-fluoro-1-benzothiophen-2-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.01656 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.02384 135.7
[M+Na]+ 219.00578 147.3
[M+NH4]+ 214.05038 144.5
[M+K]+ 234.97972 141.7
[M-H]- 195.00928 136.0
[M+Na-2H]- 216.99123 140.5
[M]+ 196.01601 137.8
[M]- 196.01711 137.8
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

No patent data available for this compound.