CID 44119857

277295-50-8

Structural Information

Molecular Formula
C8H13BN2O4S
SMILES
B(C1=CC(=CC=C1)NS(=O)(=O)N(C)C)(O)O
InChI
InChI=1S/C8H13BN2O4S/c1-11(2)16(14,15)10-8-5-3-4-7(6-8)9(12)13/h3-6,10,12-13H,1-2H3
InChIKey
UHPQMFBFPJCLDX-UHFFFAOYSA-N
Compound name
[3-(dimethylsulfamoylamino)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

55
Patents

244.06891 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.07619 150.6
[M+Na]+ 267.05813 158.1
[M+NH4]+ 262.10273 156.2
[M+K]+ 283.03207 154.3
[M-H]- 243.06163 150.3
[M+Na-2H]- 265.04358 154.3
[M]+ 244.06836 151.6
[M]- 244.06946 151.6
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