CID 133618521

(2,7-difluoro-1-benzothiophen-6-yl)boronic acid

Structural Information

Molecular Formula
C8H5BF2O2S
SMILES
B(C1=C(C2=C(C=C1)C=C(S2)F)F)(O)O
InChI
InChI=1S/C8H5BF2O2S/c10-6-3-4-1-2-5(9(12)13)7(11)8(4)14-6/h1-3,12-13H
InChIKey
DOHWZVKFHCLSOG-UHFFFAOYSA-N
Compound name
(2,7-difluoro-1-benzothiophen-6-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.00714 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.01442 140.3
[M+Na]+ 236.99636 150.9
[M+NH4]+ 232.04096 147.9
[M+K]+ 252.97030 145.6
[M-H]- 212.99986 138.9
[M+Na-2H]- 234.98181 143.8
[M]+ 214.00659 141.6
[M]- 214.00769 141.6
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.