CID 192809

1,3-benzodioxole-5-sulfonamide

Structural Information

Molecular Formula
C7H7NO4S
SMILES
C1OC2=C(O1)C=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C7H7NO4S/c8-13(9,10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2,(H2,8,9,10)
InChIKey
JHTLPSNDZNHQDZ-UHFFFAOYSA-N
Compound name
1,3-benzodioxole-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

149
Patents

201.00958 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.01686 136.1
[M+Na]+ 223.99880 146.0
[M-H]- 200.00230 142.3
[M+NH4]+ 219.04340 155.7
[M+K]+ 239.97274 146.1
[M+H-H2O]+ 184.00684 132.0
[M+HCOO]- 246.00778 154.0
[M+CH3COO]- 260.02343 179.5
[M+Na-2H]- 221.98425 143.8
[M]+ 201.00903 139.6
[M]- 201.01013 139.6
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