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

304
Patents

229.05801 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.065286 145.1
[M+Na]+ 252.047228 152.0
[M-H]- 228.050734 147.8
[M+NH4]+ 247.091833 162.5
[M+K]+ 268.021168 150.4
[M+H-H2O]+ 212.055270 139.4
[M+HCOO]- 274.056211 161.5
[M+CH3COO]- 288.071861 186.7
[M+Na-2H]- 250.032676 148.3
[M]+ 229.05746142 147.4
[M]- 229.05855858 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