CID 6455318

7-(n,n-dimethylsulphamoyl)-2,3-dihydro-1,4-benzodioxin-5-carboxylic acid

Structural Information

Molecular Formula
C11H13NO6S
SMILES
CN(C)S(=O)(=O)C1=CC(=C2C(=C1)OCCO2)C(=O)O
InChI
InChI=1S/C11H13NO6S/c1-12(2)19(15,16)7-5-8(11(13)14)10-9(6-7)17-3-4-18-10/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKey
ZRISRDUHJZSFSK-UHFFFAOYSA-N
Compound name
7-(dimethylsulfamoyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

287.04636 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.053636 157.3
[M+Na]+ 310.035578 164.1
[M-H]- 286.039084 163.1
[M+NH4]+ 305.080183 171.2
[M+K]+ 326.009518 165.5
[M+H-H2O]+ 270.043620 151.3
[M+HCOO]- 332.044561 170.6
[M+CH3COO]- 346.060211 199.7
[M+Na-2H]- 308.021026 163.4
[M]+ 287.04581142 162.2
[M]- 287.04690858 162.2
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