CID 2769942

90222-81-4

Structural Information

Molecular Formula
C8H9NO4S
SMILES
C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N
InChI
InChI=1S/C8H9NO4S/c9-14(10,11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5H,3-4H2,(H2,9,10,11)
InChIKey
OAMPULWQGDEOHG-UHFFFAOYSA-N
Compound name
2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

58
Patents

215.02522 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.032496 139.3
[M+Na]+ 238.014438 147.6
[M-H]- 214.017944 144.9
[M+NH4]+ 233.059043 156.3
[M+K]+ 253.988378 147.5
[M+H-H2O]+ 198.022480 133.9
[M+HCOO]- 260.023421 154.7
[M+CH3COO]- 274.039071 183.1
[M+Na-2H]- 235.999886 148.0
[M]+ 215.02467142 140.8
[M]- 215.02576858 140.8
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

patents stripe