CID 2161805

3-[(2h-1,3-benzodioxol-5-yl)sulfamoyl]benzoic acid

Structural Information

Molecular Formula
C14H11NO6S
SMILES
C1OC2=C(O1)C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O
InChI
InChI=1S/C14H11NO6S/c16-14(17)9-2-1-3-11(6-9)22(18,19)15-10-4-5-12-13(7-10)21-8-20-12/h1-7,15H,8H2,(H,16,17)
InChIKey
MZAMQYQULKHFKP-UHFFFAOYSA-N
Compound name
3-(1,3-benzodioxol-5-ylsulfamoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

321.0307 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.03798 167.2
[M+Na]+ 344.01992 177.6
[M+NH4]+ 339.06452 173.2
[M+K]+ 359.99386 174.5
[M-H]- 320.02342 171.3
[M+Na-2H]- 342.00537 171.3
[M]+ 321.03015 170.1
[M]- 321.03125 170.1
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

No patent data available for this compound.