CID 6455317

66410-37-5

Structural Information

Molecular Formula
C10H11NO6S
SMILES
CNS(=O)(=O)C1=CC(=C2C(=C1)OCCO2)C(=O)O
InChI
InChI=1S/C10H11NO6S/c1-11-18(14,15)6-4-7(10(12)13)9-8(5-6)16-2-3-17-9/h4-5,11H,2-3H2,1H3,(H,12,13)
InChIKey
NQEQVGJQJCYZNI-UHFFFAOYSA-N
Compound name
7-(methylsulfamoyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

273.0307 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.037976 153.1
[M+Na]+ 296.019918 160.2
[M-H]- 272.023424 157.6
[M+NH4]+ 291.064523 166.9
[M+K]+ 311.993858 160.3
[M+H-H2O]+ 256.027960 147.4
[M+HCOO]- 318.028901 166.3
[M+CH3COO]- 332.044551 193.5
[M+Na-2H]- 294.005366 160.3
[M]+ 273.03015142 156.4
[M]- 273.03124858 156.4
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