CID 2734324

5-chlorothiophene-2-boronic acid

Structural Information

Molecular Formula
C4H4BClO2S
SMILES
B(C1=CC=C(S1)Cl)(O)O
InChI
InChI=1S/C4H4BClO2S/c6-4-2-1-3(9-4)5(7)8/h1-2,7-8H
InChIKey
JFCLNCVCDFUJPO-UHFFFAOYSA-N
Compound name
(5-chlorothiophen-2-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1594
Patents

161.97136 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.978636 126.9
[M+Na]+ 184.960578 136.7
[M-H]- 160.964084 128.9
[M+NH4]+ 180.005183 149.7
[M+K]+ 200.934518 132.9
[M+H-H2O]+ 144.968620 123.9
[M+HCOO]- 206.969561 140.1
[M+CH3COO]- 220.985211 167.3
[M+Na-2H]- 182.946026 128.5
[M]+ 161.97081142 128.9
[M]- 161.97190858 128.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe