CID 19350933

3-chlorothiophene-2-boronic acid

Structural Information

Molecular Formula
C4H4BClO2S
SMILES
B(C1=C(C=CS1)Cl)(O)O
InChI
InChI=1S/C4H4BClO2S/c6-3-1-2-9-4(3)5(7)8/h1-2,7-8H
InChIKey
SFFHGIVONBNWST-UHFFFAOYSA-N
Compound name
(3-chlorothiophen-2-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
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

No literature data available for this compound.

Patent stripe

patents stripe