CID 133618521

Refchem:394716

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 135.3
[M+Na]+ 236.99636 147.0
[M-H]- 212.99986 136.2
[M+NH4]+ 232.04096 156.8
[M+K]+ 252.97030 142.5
[M+H-H2O]+ 197.00440 129.6
[M+HCOO]- 259.00534 151.2
[M+CH3COO]- 273.02099 180.3
[M+Na-2H]- 234.98181 137.4
[M]+ 214.00659 136.4
[M]- 214.00769 136.4
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.