CID 46739772

5-bromo-4-methylthiophene-2-boronic acid

Structural Information

Molecular Formula
C5H6BBrO2S
SMILES
B(C1=CC(=C(S1)Br)C)(O)O
InChI
InChI=1S/C5H6BBrO2S/c1-3-2-4(6(8)9)10-5(3)7/h2,8-9H,1H3
InChIKey
UOYBEXPZKLEGAF-UHFFFAOYSA-N
Compound name
(5-bromo-4-methylthiophen-2-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.9365 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.94378 131.8
[M+Na]+ 242.92572 144.9
[M-H]- 218.92922 136.7
[M+NH4]+ 237.97032 155.4
[M+K]+ 258.89966 133.4
[M+H-H2O]+ 202.93376 133.3
[M+HCOO]- 264.93470 147.3
[M+CH3COO]- 278.95035 178.4
[M+Na-2H]- 240.91117 134.6
[M]+ 219.93595 151.3
[M]- 219.93705 151.3
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.