CID 18476279

223576-64-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

196.00986 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.01714 133.6
[M+Na]+ 218.99908 145.0
[M-H]- 195.00258 137.4
[M+NH4]+ 214.04368 154.7
[M+K]+ 234.97302 141.7
[M+H-H2O]+ 179.00712 130.2
[M+HCOO]- 241.00806 151.6
[M+CH3COO]- 255.02371 175.8
[M+Na-2H]- 216.98453 140.7
[M]+ 196.00931 138.0
[M]- 196.01041 138.0
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

patents stripe