CID 137698960

(6-chloro-1-benzofuran-2-yl)boronic acid

Structural Information

Molecular Formula
C8H6BClO3
SMILES
B(C1=CC2=C(O1)C=C(C=C2)Cl)(O)O
InChI
InChI=1S/C8H6BClO3/c10-6-2-1-5-3-8(9(11)12)13-7(5)4-6/h1-4,11-12H
InChIKey
YSTULHWRFLFDIH-UHFFFAOYSA-N
Compound name
(6-chloro-1-benzofuran-2-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.00986 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.01714 133.5
[M+Na]+ 218.99908 147.5
[M+NH4]+ 214.04368 142.4
[M+K]+ 234.97302 143.9
[M-H]- 195.00258 136.0
[M+Na-2H]- 216.98453 139.1
[M]+ 196.00931 136.5
[M]- 196.01041 136.5
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.