CID 22391977

4-(aminosulphonyl)benzeneboronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

783
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

literature stripe

Patent stripe

patents stripe