CID 168441711

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

Structural Information

Molecular Formula
C8H5BCl2O2S
SMILES
B(C1=C(C2=C(C=C1)C=C(S2)Cl)Cl)(O)O
InChI
InChI=1S/C8H5BCl2O2S/c10-6-3-4-1-2-5(9(12)13)7(11)8(4)14-6/h1-3,12-13H
InChIKey
RJEUUVZKGHPDHW-UHFFFAOYSA-N
Compound name
(2,7-dichloro-1-benzothiophen-6-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 142.8
[M+Na]+ 268.93725 155.4
[M-H]- 244.94075 146.0
[M+NH4]+ 263.98185 164.5
[M+K]+ 284.91119 149.0
[M+H-H2O]+ 228.94529 141.0
[M+HCOO]- 290.94623 151.3
[M+CH3COO]- 304.96188 156.4
[M+Na-2H]- 266.92270 144.9
[M]+ 245.94748 148.9
[M]- 245.94858 148.9
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.