CID 44119853

913835-52-6

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 149.6
[M+Na]+ 266.02650 157.5
[M+NH4]+ 261.07110 154.6
[M+K]+ 282.00044 154.0
[M-H]- 242.03000 147.9
[M+Na-2H]- 264.01195 152.5
[M]+ 243.03673 150.2
[M]- 243.03783 150.2
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