CID 1226543

3-(2,3-dihydro-1,4-benzodioxine-6-sulfonamido)benzoic acid

Structural Information

Molecular Formula
C15H13NO6S
SMILES
C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=CC(=C3)C(=O)O
InChI
InChI=1S/C15H13NO6S/c17-15(18)10-2-1-3-11(8-10)16-23(19,20)12-4-5-13-14(9-12)22-7-6-21-13/h1-5,8-9,16H,6-7H2,(H,17,18)
InChIKey
ZOJIHMPEOUAVKG-UHFFFAOYSA-N
Compound name
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

335.04636 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.05364 170.0
[M+Na]+ 358.03558 181.3
[M+NH4]+ 353.08018 176.1
[M+K]+ 374.00952 175.9
[M-H]- 334.03908 174.8
[M+Na-2H]- 356.02103 175.1
[M]+ 335.04581 173.3
[M]- 335.04691 173.3
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.