CID 168442201

(7-chloro-2-fluoro-1-benzothiophen-6-yl)boronic acid

Structural Information

Molecular Formula
C8H5BClFO2S
SMILES
B(C1=C(C2=C(C=C1)C=C(S2)F)Cl)(O)O
InChI
InChI=1S/C8H5BClFO2S/c10-7-5(9(12)13)2-1-4-3-6(11)14-8(4)7/h1-3,12-13H
InChIKey
VSKZQFVGQHFZFK-UHFFFAOYSA-N
Compound name
(7-chloro-2-fluoro-1-benzothiophen-6-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.97758 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.98486 140.6
[M+Na]+ 252.96680 153.2
[M+NH4]+ 248.01140 149.6
[M+K]+ 268.94074 147.1
[M-H]- 228.97030 140.9
[M+Na-2H]- 250.95225 145.3
[M]+ 229.97703 143.2
[M]- 229.97813 143.2
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.