CID 44119328

486422-59-7

Structural Information

Molecular Formula
C8H12BNO4S
SMILES
B(C1=CC=C(C=C1)S(=O)(=O)N(C)C)(O)O
InChI
InChI=1S/C8H12BNO4S/c1-10(2)15(13,14)8-5-3-7(4-6-8)9(11)12/h3-6,11-12H,1-2H3
InChIKey
VVUGXBSXXJTVDS-UHFFFAOYSA-N
Compound name
[4-(dimethylsulfamoyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

330
Patents

229.05801 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.06529 147.1
[M+Na]+ 252.04723 156.0
[M+NH4]+ 247.09183 153.3
[M+K]+ 268.02117 151.7
[M-H]- 228.05073 146.7
[M+Na-2H]- 250.03268 151.1
[M]+ 229.05746 148.4
[M]- 229.05856 148.4
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