CID 44119323

3-(aminosulphonyl)benzeneboronic acid

Structural Information

Molecular Formula
C6H8BNO4S
SMILES
B(C1=CC(=CC=C1)S(=O)(=O)N)(O)O
InChI
InChI=1S/C6H8BNO4S/c8-13(11,12)6-3-1-2-5(4-6)7(9)10/h1-4,9-10H,(H2,8,11,12)
InChIKey
PMNJSWJJYWZLHU-UHFFFAOYSA-N
Compound name
(3-sulfamoylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

439
Patents

201.0267 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.03398 137.3
[M+Na]+ 224.01592 144.9
[M-H]- 200.01942 138.1
[M+NH4]+ 219.06052 154.8
[M+K]+ 239.98986 141.8
[M+H-H2O]+ 184.02396 132.0
[M+HCOO]- 246.02490 153.1
[M+CH3COO]- 260.04055 176.8
[M+Na-2H]- 222.00137 140.9
[M]+ 201.02615 136.5
[M]- 201.02725 136.5
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