CID 44119345

3-[n-(2-hydroxyethyl)sulphamoyl]benzeneboronic acid

Structural Information

Molecular Formula
C8H12BNO5S
SMILES
B(C1=CC(=CC=C1)S(=O)(=O)NCCO)(O)O
InChI
InChI=1S/C8H12BNO5S/c11-5-4-10-16(14,15)8-3-1-2-7(6-8)9(12)13/h1-3,6,10-13H,4-5H2
InChIKey
HSOUGLHWSPWPOM-UHFFFAOYSA-N
Compound name
[3-(2-hydroxyethylsulfamoyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

245.05292 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.06020 148.6
[M+Na]+ 268.04214 154.5
[M-H]- 244.04564 148.0
[M+NH4]+ 263.08674 163.6
[M+K]+ 284.01608 151.1
[M+H-H2O]+ 228.05018 142.8
[M+HCOO]- 290.05112 163.1
[M+CH3COO]- 304.06677 183.4
[M+Na-2H]- 266.02759 152.1
[M]+ 245.05237 149.0
[M]- 245.05347 149.0
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