CID 44119857

3-(n,n-dimethylsulfamoylamino)phenylboronic acid

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

71
Patents

244.06891 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.07619 148.9
[M+Na]+ 267.05813 154.7
[M-H]- 243.06163 151.2
[M+NH4]+ 262.10273 165.1
[M+K]+ 283.03207 153.0
[M+H-H2O]+ 227.06617 142.5
[M+HCOO]- 289.06711 166.1
[M+CH3COO]- 303.08276 192.0
[M+Na-2H]- 265.04358 152.6
[M]+ 244.06836 150.2
[M]- 244.06946 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

literature stripe

Patent stripe

patents stripe