CID 119084466

1298033-59-6

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 140.3
[M+Na]+ 239.02683 146.9
[M-H]- 215.03033 141.0
[M+NH4]+ 234.07143 156.7
[M+K]+ 255.00077 143.8
[M+H-H2O]+ 199.03487 134.4
[M+HCOO]- 261.03581 157.0
[M+CH3COO]- 275.05146 182.2
[M+Na-2H]- 237.01228 144.5
[M]+ 216.03706 138.7
[M]- 216.03816 138.7
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.