CID 119084466

[4-(sulfamoylamino)phenyl]boronic acid

Structural Information

Molecular Formula
C6H9BN2O4S
SMILES
B(C1=CC=C(C=C1)NS(=O)(=O)N)(O)O
InChI
InChI=1S/C6H9BN2O4S/c8-14(12,13)9-6-3-1-5(2-4-6)7(10)11/h1-4,9-11H,(H2,8,12,13)
InChIKey
QMGDIQUQLJYZNX-UHFFFAOYSA-N
Compound name
[4-(sulfamoylamino)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.03761 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.04489 141.9
[M+Na]+ 239.02683 149.3
[M+NH4]+ 234.07143 147.5
[M+K]+ 255.00077 145.7
[M-H]- 215.03033 141.2
[M+Na-2H]- 237.01228 145.3
[M]+ 216.03706 142.7
[M]- 216.03816 142.7
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

No patent data available for this compound.