CID 44119634

3-(n,n-dimethylsulphonamido)benzeneboronic acid

Structural Information

Molecular Formula
C8H12BNO4S
SMILES
B(C1=CC(=CC=C1)S(=O)(=O)N(C)C)(O)O
InChI
InChI=1S/C8H12BNO4S/c1-10(2)15(13,14)8-5-3-4-7(6-8)9(11)12/h3-6,11-12H,1-2H3
InChIKey
SGERXKCDWJPIOS-UHFFFAOYSA-N
Compound name
[3-(dimethylsulfamoyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

335
Patents

229.05801 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.06529 145.1
[M+Na]+ 252.04723 152.0
[M-H]- 228.05073 147.8
[M+NH4]+ 247.09183 162.5
[M+K]+ 268.02117 150.4
[M+H-H2O]+ 212.05527 139.4
[M+HCOO]- 274.05621 161.5
[M+CH3COO]- 288.07186 186.7
[M+Na-2H]- 250.03268 148.3
[M]+ 229.05746 147.4
[M]- 229.05856 147.4
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

patents stripe