CID 167730890

(2,4-dichloro-1-benzothiophen-5-yl)boronic acid

Structural Information

Molecular Formula
C8H5BCl2O2S
SMILES
B(C1=C(C2=C(C=C1)SC(=C2)Cl)Cl)(O)O
InChI
InChI=1S/C8H5BCl2O2S/c10-7-3-4-6(14-7)2-1-5(8(4)11)9(12)13/h1-3,12-13H
InChIKey
MRFWIXIEQZPJBG-UHFFFAOYSA-N
Compound name
(2,4-dichloro-1-benzothiophen-5-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.94803 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.95531 145.8
[M+Na]+ 268.93725 160.0
[M+NH4]+ 263.98185 155.6
[M+K]+ 284.91119 152.8
[M-H]- 244.94075 147.6
[M+Na-2H]- 266.92270 151.1
[M]+ 245.94748 149.4
[M]- 245.94858 149.4
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.