CID 44119853

4-(n-acetylsulphamoyl)benzeneboronic acid

Structural Information

Molecular Formula
C8H10BNO5S
SMILES
B(C1=CC=C(C=C1)S(=O)(=O)NC(=O)C)(O)O
InChI
InChI=1S/C8H10BNO5S/c1-6(11)10-16(14,15)8-4-2-7(3-5-8)9(12)13/h2-5,12-13H,1H3,(H,10,11)
InChIKey
CEUUKZMDDOCDTD-UHFFFAOYSA-N
Compound name
[4-(acetylsulfamoyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

243.03728 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.04456 147.7
[M+Na]+ 266.02650 154.2
[M-H]- 242.03000 148.8
[M+NH4]+ 261.07110 163.5
[M+K]+ 282.00044 151.7
[M+H-H2O]+ 226.03454 142.0
[M+HCOO]- 288.03548 162.9
[M+CH3COO]- 302.05113 185.1
[M+Na-2H]- 264.01195 150.6
[M]+ 243.03673 148.7
[M]- 243.03783 148.7
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