CID 59862514

(1,1-dioxido-3-oxo-2,3-dihydrobenzo[d]isothiazol-5-yl)boronic acid

Structural Information

Molecular Formula
C7H6BNO5S
SMILES
B(C1=CC2=C(C=C1)S(=O)(=O)NC2=O)(O)O
InChI
InChI=1S/C7H6BNO5S/c10-7-5-3-4(8(11)12)1-2-6(5)15(13,14)9-7/h1-3,11-12H,(H,9,10)
InChIKey
QDRJBSFAXHRFQY-UHFFFAOYSA-N
Compound name
(1,1,3-trioxo-1,2-benzothiazol-5-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

227.00597 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.01325 144.4
[M+Na]+ 249.99519 153.5
[M+NH4]+ 245.03979 151.6
[M+K]+ 265.96913 148.9
[M-H]- 225.99869 142.1
[M+Na-2H]- 247.98064 147.1
[M]+ 227.00542 145.2
[M]- 227.00652 145.2
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